USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 836 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 ASN :FLIP amide:sc= -0.845 F(o=-7.9!,f=-4.1) USER MOD Set 1.2: A 98 HIS : no HE2:sc= -4.37! C(o=-4.1!,f=-5.7!) USER MOD Set 1.3: A 106 TYR OH : rot 35:sc= 1.16 USER MOD Set 2.1: A 49 TYR OH : rot 180:sc= -1.25 USER MOD Set 2.2: A 109 TYR OH : rot 30:sc= -0.023 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 60:sc= -0.201 USER MOD Single : A 27 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.0099) USER MOD Single : A 33 CYS SG : rot -140:sc= -4.45 USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= -0.335 (180deg=-0.536) USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= -0.0114 (180deg=-0.198) USER MOD Single : A 39 SER OG : rot 2:sc= -1.09 USER MOD Single : A 46 LYS NZ :NH3+ -128:sc= -1.66! (180deg=-4.58!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 117:sc= 0.112 USER MOD Single : A 59 GLN : amide:sc= -0.0116 K(o=-0.012,f=-1.8!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -138:sc= -1.15 (180deg=-1.85!) USER MOD Single : A 69 MET CE :methyl 159:sc= -0.152 (180deg=-1.11) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 0:sc= 0.0631! USER MOD Single : A 91 MET CE :methyl -150:sc= -0.0392 (180deg=-1.98) USER MOD Single : A 92 SER OG : rot 170:sc= -0.556 USER MOD Single : A 95 TYR OH : rot 114:sc= 1.05 USER MOD Single : A 96 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.4) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.866 USER MOD Single : A 110 SER OG : rot 42:sc= 0.206 USER MOD Single : A 113 ASN : amide:sc= -0.872 X(o=-0.87,f=-0.65) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N ARG A 14 12.792 8.235 -12.453 1.00 34.33 N ATOM 225 CA ARG A 14 13.866 7.762 -11.596 1.00 14.03 C ATOM 226 C ARG A 14 15.164 7.632 -12.395 1.00 31.24 C ATOM 227 O ARG A 14 16.252 7.810 -11.850 1.00 44.33 O ATOM 228 CB ARG A 14 13.519 6.407 -10.975 1.00 0.44 C ATOM 229 CG ARG A 14 13.071 5.412 -12.046 1.00 72.52 C ATOM 230 CD ARG A 14 13.001 3.992 -11.480 1.00 74.32 C ATOM 231 NE ARG A 14 11.735 3.806 -10.735 1.00 63.23 N ATOM 232 CZ ARG A 14 11.290 2.613 -10.286 1.00 11.32 C ATOM 233 NH1 ARG A 14 12.005 1.489 -10.502 1.00 71.15 N ATOM 234 NH2 ARG A 14 10.145 2.563 -9.631 1.00 54.34 N ATOM 0 HA ARG A 14 13.999 8.491 -10.797 1.00 14.03 H new ATOM 0 HB2 ARG A 14 14.387 6.012 -10.447 1.00 0.44 H new ATOM 0 HB3 ARG A 14 12.727 6.533 -10.237 1.00 0.44 H new ATOM 0 HG2 ARG A 14 12.094 5.702 -12.431 1.00 72.52 H new ATOM 0 HG3 ARG A 14 13.765 5.439 -12.886 1.00 72.52 H new ATOM 0 HD2 ARG A 14 13.066 3.265 -12.290 1.00 74.32 H new ATOM 0 HD3 ARG A 14 13.850 3.812 -10.821 1.00 74.32 H new ATOM 0 HE ARG A 14 11.164 4.630 -10.549 1.00 63.23 H new ATOM 0 HH11 ARG A 14 12.889 1.536 -11.008 1.00 71.15 H new ATOM 0 HH12 ARG A 14 11.661 0.592 -10.159 1.00 71.15 H new ATOM 0 HH21 ARG A 14 9.611 3.417 -9.471 1.00 54.34 H new ATOM 0 HH22 ARG A 14 9.794 1.670 -9.285 1.00 54.34 H new ATOM 247 N LYS A 15 15.006 7.322 -13.673 1.00 61.20 N ATOM 248 CA LYS A 15 16.152 7.166 -14.552 1.00 63.43 C ATOM 249 C LYS A 15 16.681 8.547 -14.944 1.00 24.14 C ATOM 250 O LYS A 15 17.874 8.710 -15.195 1.00 43.22 O ATOM 251 CB LYS A 15 15.793 6.283 -15.749 1.00 70.03 C ATOM 252 CG LYS A 15 16.735 6.546 -16.926 1.00 74.54 C ATOM 253 CD LYS A 15 16.520 5.518 -18.040 1.00 0.32 C ATOM 254 CE LYS A 15 17.199 5.965 -19.336 1.00 50.01 C ATOM 255 NZ LYS A 15 17.065 4.922 -20.377 1.00 61.14 N ATOM 0 H LYS A 15 14.102 7.175 -14.121 1.00 61.20 H new ATOM 0 HA LYS A 15 16.961 6.649 -14.035 1.00 63.43 H new ATOM 0 HB2 LYS A 15 15.849 5.233 -15.461 1.00 70.03 H new ATOM 0 HB3 LYS A 15 14.764 6.476 -16.052 1.00 70.03 H new ATOM 0 HG2 LYS A 15 16.566 7.550 -17.315 1.00 74.54 H new ATOM 0 HG3 LYS A 15 17.769 6.507 -16.585 1.00 74.54 H new ATOM 0 HD2 LYS A 15 16.919 4.552 -17.730 1.00 0.32 H new ATOM 0 HD3 LYS A 15 15.452 5.381 -18.213 1.00 0.32 H new ATOM 0 HE2 LYS A 15 16.752 6.896 -19.686 1.00 50.01 H new ATOM 0 HE3 LYS A 15 18.254 6.168 -19.150 1.00 50.01 H new ATOM 0 HZ1 LYS A 15 17.531 5.241 -21.250 1.00 61.14 H new ATOM 0 HZ2 LYS A 15 17.512 4.043 -20.047 1.00 61.14 H new ATOM 0 HZ3 LYS A 15 16.057 4.748 -20.566 1.00 61.14 H new ATOM 268 N ALA A 16 15.768 9.506 -14.983 1.00 21.15 N ATOM 269 CA ALA A 16 16.128 10.868 -15.339 1.00 33.11 C ATOM 270 C ALA A 16 16.815 11.538 -14.147 1.00 71.32 C ATOM 271 O ALA A 16 17.983 11.914 -14.231 1.00 21.44 O ATOM 272 CB ALA A 16 14.877 11.624 -15.792 1.00 3.43 C ATOM 0 H ALA A 16 14.779 9.367 -14.774 1.00 21.15 H new ATOM 0 HA ALA A 16 16.832 10.874 -16.171 1.00 33.11 H new ATOM 0 HB1 ALA A 16 15.146 12.646 -16.059 1.00 3.43 H new ATOM 0 HB2 ALA A 16 14.444 11.124 -16.659 1.00 3.43 H new ATOM 0 HB3 ALA A 16 14.149 11.641 -14.981 1.00 3.43 H new ATOM 278 N GLU A 17 16.060 11.667 -13.066 1.00 25.52 N ATOM 279 CA GLU A 17 16.582 12.284 -11.859 1.00 2.54 C ATOM 280 C GLU A 17 18.028 11.844 -11.619 1.00 33.11 C ATOM 281 O GLU A 17 18.872 12.654 -11.240 1.00 65.22 O ATOM 282 CB GLU A 17 15.702 11.957 -10.651 1.00 10.43 C ATOM 283 CG GLU A 17 15.776 10.469 -10.305 1.00 71.34 C ATOM 284 CD GLU A 17 14.769 10.109 -9.211 1.00 73.03 C ATOM 285 OE1 GLU A 17 15.168 9.707 -8.108 1.00 45.14 O ATOM 286 OE2 GLU A 17 13.530 10.261 -9.539 1.00 63.31 O ATOM 0 H GLU A 17 15.091 11.355 -13.001 1.00 25.52 H new ATOM 0 HA GLU A 17 16.570 13.366 -11.994 1.00 2.54 H new ATOM 0 HB2 GLU A 17 16.021 12.550 -9.793 1.00 10.43 H new ATOM 0 HB3 GLU A 17 14.669 12.234 -10.863 1.00 10.43 H new ATOM 0 HG2 GLU A 17 15.577 9.874 -11.197 1.00 71.34 H new ATOM 0 HG3 GLU A 17 16.784 10.219 -9.973 1.00 71.34 H new ATOM 294 N SER A 18 18.268 10.562 -11.849 1.00 72.55 N ATOM 295 CA SER A 18 19.597 10.004 -11.663 1.00 75.43 C ATOM 296 C SER A 18 20.596 10.716 -12.578 1.00 33.45 C ATOM 297 O SER A 18 21.655 11.149 -12.127 1.00 63.42 O ATOM 298 CB SER A 18 19.605 8.499 -11.938 1.00 22.54 C ATOM 299 OG SER A 18 18.772 8.152 -13.040 1.00 72.03 O ATOM 0 H SER A 18 17.565 9.893 -12.163 1.00 72.55 H new ATOM 0 HA SER A 18 19.891 10.158 -10.625 1.00 75.43 H new ATOM 0 HB2 SER A 18 20.626 8.173 -12.139 1.00 22.54 H new ATOM 0 HB3 SER A 18 19.269 7.966 -11.048 1.00 22.54 H new ATOM 0 HG SER A 18 19.088 8.611 -13.846 1.00 72.03 H new ATOM 305 N GLU A 19 20.223 10.815 -13.845 1.00 72.50 N ATOM 306 CA GLU A 19 21.073 11.466 -14.827 1.00 1.54 C ATOM 307 C GLU A 19 21.611 12.786 -14.270 1.00 11.21 C ATOM 308 O GLU A 19 22.736 13.180 -14.574 1.00 71.21 O ATOM 309 CB GLU A 19 20.321 11.691 -16.140 1.00 44.30 C ATOM 310 CG GLU A 19 20.068 10.365 -16.860 1.00 54.54 C ATOM 311 CD GLU A 19 21.296 9.934 -17.664 1.00 1.20 C ATOM 312 OE1 GLU A 19 21.164 9.193 -18.649 1.00 35.41 O ATOM 313 OE2 GLU A 19 22.420 10.398 -17.233 1.00 51.52 O ATOM 0 H GLU A 19 19.343 10.455 -14.214 1.00 72.50 H new ATOM 0 HA GLU A 19 21.918 10.811 -15.039 1.00 1.54 H new ATOM 0 HB2 GLU A 19 19.371 12.187 -15.939 1.00 44.30 H new ATOM 0 HB3 GLU A 19 20.897 12.355 -16.784 1.00 44.30 H new ATOM 0 HG2 GLU A 19 19.817 9.594 -16.132 1.00 54.54 H new ATOM 0 HG3 GLU A 19 19.211 10.466 -17.525 1.00 54.54 H new ATOM 321 N ARG A 20 20.782 13.433 -13.464 1.00 51.41 N ATOM 322 CA ARG A 20 21.160 14.701 -12.862 1.00 62.42 C ATOM 323 C ARG A 20 22.088 14.465 -11.669 1.00 4.41 C ATOM 324 O ARG A 20 23.005 15.249 -11.427 1.00 13.43 O ATOM 325 CB ARG A 20 19.928 15.478 -12.396 1.00 10.35 C ATOM 326 CG ARG A 20 19.165 16.063 -13.586 1.00 43.01 C ATOM 327 CD ARG A 20 18.005 16.943 -13.116 1.00 5.05 C ATOM 328 NE ARG A 20 17.084 16.155 -12.268 1.00 35.51 N ATOM 329 CZ ARG A 20 15.981 16.660 -11.675 1.00 3.32 C ATOM 330 NH1 ARG A 20 15.654 17.961 -11.832 1.00 70.53 N ATOM 331 NH2 ARG A 20 15.228 15.864 -10.938 1.00 44.54 N ATOM 0 H ARG A 20 19.850 13.103 -13.214 1.00 51.41 H new ATOM 0 HA ARG A 20 21.679 15.287 -13.620 1.00 62.42 H new ATOM 0 HB2 ARG A 20 19.272 14.819 -11.827 1.00 10.35 H new ATOM 0 HB3 ARG A 20 20.233 16.281 -11.725 1.00 10.35 H new ATOM 0 HG2 ARG A 20 19.844 16.650 -14.204 1.00 43.01 H new ATOM 0 HG3 ARG A 20 18.783 15.255 -14.210 1.00 43.01 H new ATOM 0 HD2 ARG A 20 18.388 17.796 -12.556 1.00 5.05 H new ATOM 0 HD3 ARG A 20 17.468 17.342 -13.977 1.00 5.05 H new ATOM 0 HE ARG A 20 17.295 15.168 -12.122 1.00 35.51 H new ATOM 0 HH11 ARG A 20 16.242 18.569 -12.402 1.00 70.53 H new ATOM 0 HH12 ARG A 20 14.819 18.335 -11.381 1.00 70.53 H new ATOM 0 HH21 ARG A 20 15.483 14.883 -10.823 1.00 44.54 H new ATOM 0 HH22 ARG A 20 14.392 16.230 -10.483 1.00 44.54 H new ATOM 344 N ILE A 21 21.819 13.382 -10.955 1.00 1.31 N ATOM 345 CA ILE A 21 22.619 13.034 -9.793 1.00 12.02 C ATOM 346 C ILE A 21 23.999 12.559 -10.252 1.00 75.34 C ATOM 347 O ILE A 21 24.950 12.557 -9.473 1.00 31.12 O ATOM 348 CB ILE A 21 21.879 12.020 -8.918 1.00 1.13 C ATOM 349 CG1 ILE A 21 20.843 12.714 -8.031 1.00 21.02 C ATOM 350 CG2 ILE A 21 22.863 11.180 -8.100 1.00 51.35 C ATOM 351 CD1 ILE A 21 20.009 11.690 -7.258 1.00 42.11 C ATOM 0 H ILE A 21 21.058 12.734 -11.159 1.00 1.31 H new ATOM 0 HA ILE A 21 22.777 13.909 -9.163 1.00 12.02 H new ATOM 0 HB ILE A 21 21.337 11.336 -9.571 1.00 1.13 H new ATOM 0 HG12 ILE A 21 21.347 13.381 -7.331 1.00 21.02 H new ATOM 0 HG13 ILE A 21 20.188 13.332 -8.646 1.00 21.02 H new ATOM 0 HG21 ILE A 21 22.311 10.467 -7.487 1.00 51.35 H new ATOM 0 HG22 ILE A 21 23.528 10.640 -8.774 1.00 51.35 H new ATOM 0 HG23 ILE A 21 23.451 11.833 -7.456 1.00 51.35 H new ATOM 0 HD11 ILE A 21 19.281 12.210 -6.635 1.00 42.11 H new ATOM 0 HD12 ILE A 21 19.488 11.040 -7.961 1.00 42.11 H new ATOM 0 HD13 ILE A 21 20.664 11.090 -6.626 1.00 42.11 H new ATOM 363 N ALA A 22 24.063 12.167 -11.516 1.00 44.14 N ATOM 364 CA ALA A 22 25.311 11.691 -12.089 1.00 71.42 C ATOM 365 C ALA A 22 26.180 12.889 -12.475 1.00 25.10 C ATOM 366 O ALA A 22 27.404 12.835 -12.360 1.00 10.31 O ATOM 367 CB ALA A 22 25.011 10.780 -13.282 1.00 14.34 C ATOM 0 H ALA A 22 23.271 12.169 -12.159 1.00 44.14 H new ATOM 0 HA ALA A 22 25.867 11.101 -11.360 1.00 71.42 H new ATOM 0 HB1 ALA A 22 25.947 10.423 -13.712 1.00 14.34 H new ATOM 0 HB2 ALA A 22 24.417 9.929 -12.950 1.00 14.34 H new ATOM 0 HB3 ALA A 22 24.456 11.338 -14.036 1.00 14.34 H new ATOM 373 N ASP A 23 25.515 13.942 -12.925 1.00 15.21 N ATOM 374 CA ASP A 23 26.211 15.152 -13.328 1.00 63.23 C ATOM 375 C ASP A 23 26.765 15.854 -12.087 1.00 41.31 C ATOM 376 O ASP A 23 27.904 16.319 -12.089 1.00 12.42 O ATOM 377 CB ASP A 23 25.265 16.122 -14.038 1.00 13.02 C ATOM 378 CG ASP A 23 25.732 17.579 -14.064 1.00 63.41 C ATOM 379 OD1 ASP A 23 25.104 18.462 -13.462 1.00 52.13 O ATOM 380 OD2 ASP A 23 26.805 17.795 -14.748 1.00 32.34 O ATOM 0 H ASP A 23 24.500 13.983 -13.020 1.00 15.21 H new ATOM 0 HA ASP A 23 27.013 14.868 -14.009 1.00 63.23 H new ATOM 0 HB2 ASP A 23 25.125 15.783 -15.064 1.00 13.02 H new ATOM 0 HB3 ASP A 23 24.291 16.077 -13.551 1.00 13.02 H new ATOM 386 N ARG A 24 25.934 15.909 -11.057 1.00 14.10 N ATOM 387 CA ARG A 24 26.326 16.547 -9.812 1.00 32.03 C ATOM 388 C ARG A 24 27.236 15.620 -9.004 1.00 32.51 C ATOM 389 O ARG A 24 28.345 16.001 -8.633 1.00 12.01 O ATOM 390 CB ARG A 24 25.101 16.909 -8.969 1.00 43.51 C ATOM 391 CG ARG A 24 25.515 17.371 -7.570 1.00 44.04 C ATOM 392 CD ARG A 24 26.587 18.461 -7.647 1.00 71.53 C ATOM 393 NE ARG A 24 26.557 19.287 -6.420 1.00 41.22 N ATOM 394 CZ ARG A 24 27.302 20.398 -6.238 1.00 1.23 C ATOM 395 NH1 ARG A 24 28.143 20.826 -7.204 1.00 30.54 N ATOM 396 NH2 ARG A 24 27.196 21.060 -5.101 1.00 10.42 N ATOM 0 H ARG A 24 24.990 15.522 -11.059 1.00 14.10 H new ATOM 0 HA ARG A 24 26.864 17.461 -10.063 1.00 32.03 H new ATOM 0 HB2 ARG A 24 24.535 17.698 -9.464 1.00 43.51 H new ATOM 0 HB3 ARG A 24 24.441 16.045 -8.890 1.00 43.51 H new ATOM 0 HG2 ARG A 24 24.644 17.750 -7.036 1.00 44.04 H new ATOM 0 HG3 ARG A 24 25.894 16.523 -7.000 1.00 44.04 H new ATOM 0 HD2 ARG A 24 27.571 18.007 -7.766 1.00 71.53 H new ATOM 0 HD3 ARG A 24 26.417 19.088 -8.522 1.00 71.53 H new ATOM 0 HE ARG A 24 25.935 18.999 -5.665 1.00 41.22 H new ATOM 0 HH11 ARG A 24 28.219 20.309 -8.080 1.00 30.54 H new ATOM 0 HH12 ARG A 24 28.702 21.667 -7.058 1.00 30.54 H new ATOM 0 HH21 ARG A 24 26.558 20.730 -4.376 1.00 10.42 H new ATOM 0 HH22 ARG A 24 27.752 21.901 -4.947 1.00 10.42 H new ATOM 409 N PHE A 25 26.733 14.419 -8.755 1.00 41.21 N ATOM 410 CA PHE A 25 27.487 13.434 -7.998 1.00 50.40 C ATOM 411 C PHE A 25 27.762 12.188 -8.841 1.00 63.24 C ATOM 412 O PHE A 25 27.085 11.172 -8.694 1.00 34.01 O ATOM 413 CB PHE A 25 26.628 13.042 -6.795 1.00 34.24 C ATOM 414 CG PHE A 25 25.768 14.182 -6.245 1.00 42.42 C ATOM 415 CD1 PHE A 25 24.573 14.474 -6.826 1.00 23.13 C ATOM 416 CD2 PHE A 25 26.199 14.905 -5.177 1.00 23.45 C ATOM 417 CE1 PHE A 25 23.776 15.532 -6.316 1.00 11.32 C ATOM 418 CE2 PHE A 25 25.402 15.963 -4.667 1.00 12.13 C ATOM 419 CZ PHE A 25 24.207 16.255 -5.247 1.00 71.31 C ATOM 0 H PHE A 25 25.813 14.106 -9.064 1.00 41.21 H new ATOM 0 HA PHE A 25 28.446 13.853 -7.694 1.00 50.40 H new ATOM 0 HB2 PHE A 25 25.977 12.215 -7.080 1.00 34.24 H new ATOM 0 HB3 PHE A 25 27.279 12.676 -6.001 1.00 34.24 H new ATOM 0 HD1 PHE A 25 24.231 13.901 -7.675 1.00 23.13 H new ATOM 0 HD2 PHE A 25 27.148 14.674 -4.717 1.00 23.45 H new ATOM 0 HE1 PHE A 25 22.827 15.763 -6.777 1.00 11.32 H new ATOM 0 HE2 PHE A 25 25.745 16.536 -3.818 1.00 12.13 H new ATOM 0 HZ PHE A 25 23.601 17.060 -4.859 1.00 71.31 H new ATOM 429 N PRO A 26 28.785 12.309 -9.730 1.00 13.30 N ATOM 430 CA PRO A 26 29.158 11.205 -10.597 1.00 20.20 C ATOM 431 C PRO A 26 29.917 10.129 -9.818 1.00 61.40 C ATOM 432 O PRO A 26 30.320 9.114 -10.386 1.00 10.45 O ATOM 433 CB PRO A 26 29.989 11.836 -11.702 1.00 62.32 C ATOM 434 CG PRO A 26 30.439 13.185 -11.166 1.00 44.15 C ATOM 435 CD PRO A 26 29.609 13.497 -9.932 1.00 42.11 C ATOM 0 HA PRO A 26 28.294 10.686 -11.013 1.00 20.20 H new ATOM 0 HB2 PRO A 26 30.845 11.210 -11.953 1.00 62.32 H new ATOM 0 HB3 PRO A 26 29.402 11.954 -12.613 1.00 62.32 H new ATOM 0 HG2 PRO A 26 31.500 13.162 -10.917 1.00 44.15 H new ATOM 0 HG3 PRO A 26 30.306 13.959 -11.921 1.00 44.15 H new ATOM 0 HD2 PRO A 26 30.243 13.691 -9.067 1.00 42.11 H new ATOM 0 HD3 PRO A 26 28.994 14.385 -10.082 1.00 42.11 H new ATOM 443 N ASN A 27 30.089 10.386 -8.530 1.00 2.31 N ATOM 444 CA ASN A 27 30.793 9.452 -7.667 1.00 54.32 C ATOM 445 C ASN A 27 29.915 9.121 -6.459 1.00 32.32 C ATOM 446 O ASN A 27 30.385 9.139 -5.322 1.00 74.11 O ATOM 447 CB ASN A 27 32.100 10.057 -7.151 1.00 35.05 C ATOM 448 CG ASN A 27 33.203 8.999 -7.079 1.00 14.10 C ATOM 449 OD1 ASN A 27 33.716 8.671 -6.022 1.00 70.20 O ATOM 450 ND2 ASN A 27 33.537 8.486 -8.259 1.00 60.33 N ATOM 0 H ASN A 27 29.753 11.228 -8.063 1.00 2.31 H new ATOM 0 HA ASN A 27 31.015 8.557 -8.248 1.00 54.32 H new ATOM 0 HB2 ASN A 27 32.413 10.869 -7.807 1.00 35.05 H new ATOM 0 HB3 ASN A 27 31.940 10.489 -6.163 1.00 35.05 H new ATOM 0 HD21 ASN A 27 34.263 7.772 -8.318 1.00 60.33 H new ATOM 0 HD22 ASN A 27 33.067 8.806 -9.106 1.00 60.33 H new ATOM 457 N ARG A 28 28.655 8.825 -6.746 1.00 5.44 N ATOM 458 CA ARG A 28 27.708 8.490 -5.696 1.00 53.25 C ATOM 459 C ARG A 28 26.930 7.226 -6.068 1.00 22.14 C ATOM 460 O ARG A 28 27.097 6.689 -7.162 1.00 14.41 O ATOM 461 CB ARG A 28 26.722 9.636 -5.459 1.00 33.45 C ATOM 462 CG ARG A 28 27.352 10.731 -4.596 1.00 51.44 C ATOM 463 CD ARG A 28 27.760 10.185 -3.227 1.00 31.22 C ATOM 464 NE ARG A 28 27.715 11.266 -2.217 1.00 21.42 N ATOM 465 CZ ARG A 28 28.693 12.180 -2.042 1.00 62.35 C ATOM 466 NH1 ARG A 28 29.803 12.151 -2.811 1.00 73.01 N ATOM 467 NH2 ARG A 28 28.548 13.102 -1.109 1.00 64.22 N ATOM 0 H ARG A 28 28.269 8.810 -7.690 1.00 5.44 H new ATOM 0 HA ARG A 28 28.274 8.317 -4.781 1.00 53.25 H new ATOM 0 HB2 ARG A 28 26.410 10.056 -6.415 1.00 33.45 H new ATOM 0 HB3 ARG A 28 25.825 9.254 -4.971 1.00 33.45 H new ATOM 0 HG2 ARG A 28 28.226 11.141 -5.103 1.00 51.44 H new ATOM 0 HG3 ARG A 28 26.644 11.550 -4.468 1.00 51.44 H new ATOM 0 HD2 ARG A 28 27.091 9.375 -2.935 1.00 31.22 H new ATOM 0 HD3 ARG A 28 28.765 9.766 -3.278 1.00 31.22 H new ATOM 0 HE ARG A 28 26.893 11.324 -1.615 1.00 21.42 H new ATOM 0 HH11 ARG A 28 29.907 11.435 -3.530 1.00 73.01 H new ATOM 0 HH12 ARG A 28 30.538 12.845 -2.673 1.00 73.01 H new ATOM 0 HH21 ARG A 28 27.706 13.117 -0.533 1.00 64.22 H new ATOM 0 HH22 ARG A 28 29.278 13.800 -0.964 1.00 64.22 H new ATOM 480 N ILE A 29 26.098 6.787 -5.135 1.00 74.53 N ATOM 481 CA ILE A 29 25.294 5.595 -5.351 1.00 11.32 C ATOM 482 C ILE A 29 23.910 5.800 -4.731 1.00 41.13 C ATOM 483 O ILE A 29 23.699 5.491 -3.560 1.00 14.33 O ATOM 484 CB ILE A 29 26.024 4.355 -4.830 1.00 55.41 C ATOM 485 CG1 ILE A 29 27.535 4.487 -5.024 1.00 65.13 C ATOM 486 CG2 ILE A 29 25.471 3.083 -5.476 1.00 22.24 C ATOM 487 CD1 ILE A 29 28.256 3.204 -4.604 1.00 51.11 C ATOM 0 H ILE A 29 25.963 7.235 -4.228 1.00 74.53 H new ATOM 0 HA ILE A 29 25.144 5.424 -6.417 1.00 11.32 H new ATOM 0 HB ILE A 29 25.844 4.276 -3.758 1.00 55.41 H new ATOM 0 HG12 ILE A 29 27.753 4.706 -6.069 1.00 65.13 H new ATOM 0 HG13 ILE A 29 27.909 5.327 -4.438 1.00 65.13 H new ATOM 0 HG21 ILE A 29 26.006 2.216 -5.089 1.00 22.24 H new ATOM 0 HG22 ILE A 29 24.410 2.988 -5.243 1.00 22.24 H new ATOM 0 HG23 ILE A 29 25.602 3.137 -6.557 1.00 22.24 H new ATOM 0 HD11 ILE A 29 29.329 3.325 -4.752 1.00 51.11 H new ATOM 0 HD12 ILE A 29 28.055 3.002 -3.552 1.00 51.11 H new ATOM 0 HD13 ILE A 29 27.898 2.371 -5.209 1.00 51.11 H new ATOM 499 N PRO A 30 22.979 6.333 -5.567 1.00 43.33 N ATOM 500 CA PRO A 30 21.622 6.583 -5.114 1.00 34.00 C ATOM 501 C PRO A 30 20.830 5.278 -5.009 1.00 31.12 C ATOM 502 O PRO A 30 20.187 4.858 -5.970 1.00 45.21 O ATOM 503 CB PRO A 30 21.039 7.551 -6.131 1.00 20.11 C ATOM 504 CG PRO A 30 21.925 7.445 -7.362 1.00 13.53 C ATOM 505 CD PRO A 30 23.194 6.711 -6.961 1.00 51.31 C ATOM 0 HA PRO A 30 21.585 7.010 -4.112 1.00 34.00 H new ATOM 0 HB2 PRO A 30 20.007 7.293 -6.369 1.00 20.11 H new ATOM 0 HB3 PRO A 30 21.031 8.569 -5.742 1.00 20.11 H new ATOM 0 HG2 PRO A 30 21.409 6.909 -8.158 1.00 13.53 H new ATOM 0 HG3 PRO A 30 22.163 8.436 -7.748 1.00 13.53 H new ATOM 0 HD2 PRO A 30 23.359 5.835 -7.588 1.00 51.31 H new ATOM 0 HD3 PRO A 30 24.071 7.349 -7.067 1.00 51.31 H new ATOM 513 N VAL A 31 20.902 4.673 -3.832 1.00 71.35 N ATOM 514 CA VAL A 31 20.200 3.424 -3.589 1.00 72.01 C ATOM 515 C VAL A 31 18.764 3.727 -3.155 1.00 4.32 C ATOM 516 O VAL A 31 18.527 4.662 -2.392 1.00 4.53 O ATOM 517 CB VAL A 31 20.968 2.582 -2.568 1.00 50.12 C ATOM 518 CG1 VAL A 31 20.026 1.643 -1.812 1.00 11.42 C ATOM 519 CG2 VAL A 31 22.097 1.800 -3.242 1.00 24.14 C ATOM 0 H VAL A 31 21.435 5.024 -3.037 1.00 71.35 H new ATOM 0 HA VAL A 31 20.146 2.833 -4.503 1.00 72.01 H new ATOM 0 HB VAL A 31 21.417 3.261 -1.843 1.00 50.12 H new ATOM 0 HG11 VAL A 31 20.597 1.056 -1.093 1.00 11.42 H new ATOM 0 HG12 VAL A 31 19.273 2.229 -1.285 1.00 11.42 H new ATOM 0 HG13 VAL A 31 19.535 0.973 -2.519 1.00 11.42 H new ATOM 0 HG21 VAL A 31 22.627 1.210 -2.495 1.00 24.14 H new ATOM 0 HG22 VAL A 31 21.679 1.136 -3.999 1.00 24.14 H new ATOM 0 HG23 VAL A 31 22.791 2.496 -3.714 1.00 24.14 H new ATOM 529 N ILE A 32 17.844 2.919 -3.660 1.00 20.04 N ATOM 530 CA ILE A 32 16.438 3.089 -3.333 1.00 43.14 C ATOM 531 C ILE A 32 15.954 1.877 -2.535 1.00 3.32 C ATOM 532 O ILE A 32 15.521 0.881 -3.112 1.00 43.34 O ATOM 533 CB ILE A 32 15.623 3.356 -4.600 1.00 51.52 C ATOM 534 CG1 ILE A 32 15.747 4.819 -5.034 1.00 31.43 C ATOM 535 CG2 ILE A 32 14.164 2.936 -4.412 1.00 12.22 C ATOM 536 CD1 ILE A 32 14.765 5.704 -4.263 1.00 45.01 C ATOM 0 H ILE A 32 18.044 2.145 -4.293 1.00 20.04 H new ATOM 0 HA ILE A 32 16.297 3.965 -2.700 1.00 43.14 H new ATOM 0 HB ILE A 32 16.033 2.745 -5.405 1.00 51.52 H new ATOM 0 HG12 ILE A 32 16.766 5.167 -4.865 1.00 31.43 H new ATOM 0 HG13 ILE A 32 15.555 4.902 -6.104 1.00 31.43 H new ATOM 0 HG21 ILE A 32 13.607 3.136 -5.327 1.00 12.22 H new ATOM 0 HG22 ILE A 32 14.118 1.871 -4.185 1.00 12.22 H new ATOM 0 HG23 ILE A 32 13.726 3.501 -3.589 1.00 12.22 H new ATOM 0 HD11 ILE A 32 14.873 6.738 -4.590 1.00 45.01 H new ATOM 0 HD12 ILE A 32 13.746 5.368 -4.453 1.00 45.01 H new ATOM 0 HD13 ILE A 32 14.976 5.637 -3.196 1.00 45.01 H new ATOM 548 N CYS A 33 16.044 2.002 -1.219 1.00 32.12 N ATOM 549 CA CYS A 33 15.620 0.929 -0.335 1.00 4.11 C ATOM 550 C CYS A 33 14.179 1.204 0.098 1.00 72.13 C ATOM 551 O CYS A 33 13.724 2.346 0.063 1.00 12.25 O ATOM 552 CB CYS A 33 16.558 0.781 0.865 1.00 1.50 C ATOM 553 SG CYS A 33 15.973 -0.568 1.954 1.00 2.10 S ATOM 0 H CYS A 33 16.404 2.829 -0.744 1.00 32.12 H new ATOM 0 HA CYS A 33 15.663 -0.022 -0.866 1.00 4.11 H new ATOM 0 HB2 CYS A 33 17.571 0.569 0.522 1.00 1.50 H new ATOM 0 HB3 CYS A 33 16.600 1.717 1.422 1.00 1.50 H new ATOM 0 HG CYS A 33 16.116 -0.215 3.197 1.00 2.10 H new ATOM 559 N GLU A 34 13.500 0.137 0.495 1.00 44.43 N ATOM 560 CA GLU A 34 12.120 0.249 0.933 1.00 13.35 C ATOM 561 C GLU A 34 11.861 -0.687 2.115 1.00 33.14 C ATOM 562 O GLU A 34 12.004 -1.903 1.992 1.00 54.52 O ATOM 563 CB GLU A 34 11.154 -0.040 -0.217 1.00 54.11 C ATOM 564 CG GLU A 34 11.455 0.851 -1.424 1.00 3.34 C ATOM 565 CD GLU A 34 10.592 0.459 -2.625 1.00 22.15 C ATOM 566 OE1 GLU A 34 10.450 1.248 -3.570 1.00 41.31 O ATOM 567 OE2 GLU A 34 10.060 -0.714 -2.553 1.00 53.12 O ATOM 0 H GLU A 34 13.881 -0.809 0.522 1.00 44.43 H new ATOM 0 HA GLU A 34 11.946 1.274 1.261 1.00 13.35 H new ATOM 0 HB2 GLU A 34 11.231 -1.088 -0.506 1.00 54.11 H new ATOM 0 HB3 GLU A 34 10.129 0.125 0.114 1.00 54.11 H new ATOM 0 HG2 GLU A 34 11.272 1.894 -1.165 1.00 3.34 H new ATOM 0 HG3 GLU A 34 12.510 0.768 -1.687 1.00 3.34 H new ATOM 575 N LYS A 35 11.484 -0.086 3.234 1.00 3.33 N ATOM 576 CA LYS A 35 11.204 -0.851 4.437 1.00 1.24 C ATOM 577 C LYS A 35 10.282 -2.021 4.089 1.00 24.22 C ATOM 578 O LYS A 35 9.395 -1.888 3.248 1.00 60.22 O ATOM 579 CB LYS A 35 10.653 0.061 5.536 1.00 73.33 C ATOM 580 CG LYS A 35 10.714 -0.627 6.901 1.00 32.20 C ATOM 581 CD LYS A 35 9.436 -1.424 7.171 1.00 11.03 C ATOM 582 CE LYS A 35 8.418 -0.582 7.943 1.00 31.22 C ATOM 583 NZ LYS A 35 7.531 0.145 7.008 1.00 40.12 N ATOM 0 H LYS A 35 11.366 0.922 3.333 1.00 3.33 H new ATOM 0 HA LYS A 35 12.123 -1.278 4.840 1.00 1.24 H new ATOM 0 HB2 LYS A 35 11.226 0.988 5.566 1.00 73.33 H new ATOM 0 HB3 LYS A 35 9.622 0.331 5.307 1.00 73.33 H new ATOM 0 HG2 LYS A 35 11.577 -1.292 6.939 1.00 32.20 H new ATOM 0 HG3 LYS A 35 10.853 0.120 7.683 1.00 32.20 H new ATOM 0 HD2 LYS A 35 9.001 -1.752 6.227 1.00 11.03 H new ATOM 0 HD3 LYS A 35 9.677 -2.322 7.740 1.00 11.03 H new ATOM 0 HE2 LYS A 35 7.823 -1.225 8.592 1.00 31.22 H new ATOM 0 HE3 LYS A 35 8.938 0.128 8.587 1.00 31.22 H new ATOM 0 HZ1 LYS A 35 6.727 0.545 7.533 1.00 40.12 H new ATOM 0 HZ2 LYS A 35 8.063 0.913 6.551 1.00 40.12 H new ATOM 0 HZ3 LYS A 35 7.178 -0.512 6.283 1.00 40.12 H new ATOM 596 N ALA A 36 10.524 -3.141 4.754 1.00 22.40 N ATOM 597 CA ALA A 36 9.727 -4.334 4.525 1.00 31.54 C ATOM 598 C ALA A 36 8.372 -4.177 5.218 1.00 74.23 C ATOM 599 O ALA A 36 8.310 -3.874 6.408 1.00 21.53 O ATOM 600 CB ALA A 36 10.494 -5.563 5.018 1.00 70.45 C ATOM 0 H ALA A 36 11.261 -3.247 5.451 1.00 22.40 H new ATOM 0 HA ALA A 36 9.540 -4.472 3.460 1.00 31.54 H new ATOM 0 HB1 ALA A 36 9.896 -6.458 4.846 1.00 70.45 H new ATOM 0 HB2 ALA A 36 11.436 -5.646 4.475 1.00 70.45 H new ATOM 0 HB3 ALA A 36 10.697 -5.462 6.084 1.00 70.45 H new ATOM 606 N GLU A 37 7.319 -4.390 4.442 1.00 33.11 N ATOM 607 CA GLU A 37 5.968 -4.276 4.966 1.00 41.21 C ATOM 608 C GLU A 37 5.706 -5.371 6.002 1.00 2.52 C ATOM 609 O GLU A 37 4.889 -5.194 6.904 1.00 54.31 O ATOM 610 CB GLU A 37 4.936 -4.331 3.838 1.00 41.33 C ATOM 611 CG GLU A 37 4.743 -5.765 3.340 1.00 2.43 C ATOM 612 CD GLU A 37 3.736 -5.815 2.190 1.00 41.04 C ATOM 613 OE1 GLU A 37 2.747 -6.559 2.264 1.00 71.04 O ATOM 614 OE2 GLU A 37 4.009 -5.044 1.192 1.00 62.22 O ATOM 0 H GLU A 37 7.374 -4.641 3.455 1.00 33.11 H new ATOM 0 HA GLU A 37 5.870 -3.308 5.457 1.00 41.21 H new ATOM 0 HB2 GLU A 37 3.984 -3.934 4.191 1.00 41.33 H new ATOM 0 HB3 GLU A 37 5.260 -3.696 3.013 1.00 41.33 H new ATOM 0 HG2 GLU A 37 5.699 -6.170 3.009 1.00 2.43 H new ATOM 0 HG3 GLU A 37 4.396 -6.395 4.159 1.00 2.43 H new ATOM 622 N LYS A 38 6.416 -6.477 5.839 1.00 73.51 N ATOM 623 CA LYS A 38 6.270 -7.601 6.749 1.00 2.30 C ATOM 624 C LYS A 38 6.940 -7.261 8.082 1.00 21.51 C ATOM 625 O LYS A 38 6.519 -7.742 9.133 1.00 75.32 O ATOM 626 CB LYS A 38 6.798 -8.884 6.105 1.00 71.23 C ATOM 627 CG LYS A 38 6.050 -9.194 4.806 1.00 11.53 C ATOM 628 CD LYS A 38 6.450 -10.564 4.256 1.00 44.32 C ATOM 629 CE LYS A 38 6.262 -10.621 2.739 1.00 62.44 C ATOM 630 NZ LYS A 38 7.311 -9.831 2.056 1.00 54.41 N ATOM 0 H LYS A 38 7.094 -6.619 5.091 1.00 73.51 H new ATOM 0 HA LYS A 38 5.217 -7.788 6.959 1.00 2.30 H new ATOM 0 HB2 LYS A 38 7.863 -8.780 5.899 1.00 71.23 H new ATOM 0 HB3 LYS A 38 6.687 -9.716 6.800 1.00 71.23 H new ATOM 0 HG2 LYS A 38 4.975 -9.170 4.987 1.00 11.53 H new ATOM 0 HG3 LYS A 38 6.266 -8.424 4.065 1.00 11.53 H new ATOM 0 HD2 LYS A 38 7.491 -10.770 4.505 1.00 44.32 H new ATOM 0 HD3 LYS A 38 5.849 -11.340 4.730 1.00 44.32 H new ATOM 0 HE2 LYS A 38 6.300 -11.656 2.401 1.00 62.44 H new ATOM 0 HE3 LYS A 38 5.278 -10.235 2.474 1.00 62.44 H new ATOM 0 HZ1 LYS A 38 7.387 -10.138 1.065 1.00 54.41 H new ATOM 0 HZ2 LYS A 38 7.061 -8.822 2.087 1.00 54.41 H new ATOM 0 HZ3 LYS A 38 8.223 -9.977 2.535 1.00 54.41 H new ATOM 643 N SER A 39 7.973 -6.436 7.996 1.00 55.43 N ATOM 644 CA SER A 39 8.705 -6.026 9.182 1.00 32.42 C ATOM 645 C SER A 39 7.745 -5.417 10.205 1.00 14.44 C ATOM 646 O SER A 39 6.560 -5.242 9.923 1.00 20.35 O ATOM 647 CB SER A 39 9.810 -5.028 8.830 1.00 34.24 C ATOM 648 OG SER A 39 10.905 -5.101 9.740 1.00 75.44 O ATOM 0 H SER A 39 8.321 -6.040 7.123 1.00 55.43 H new ATOM 0 HA SER A 39 9.175 -6.909 9.616 1.00 32.42 H new ATOM 0 HB2 SER A 39 10.166 -5.223 7.818 1.00 34.24 H new ATOM 0 HB3 SER A 39 9.401 -4.018 8.835 1.00 34.24 H new ATOM 0 HG SER A 39 10.737 -5.807 10.398 1.00 75.44 H new ATOM 654 N ASP A 40 8.291 -5.109 11.372 1.00 23.14 N ATOM 655 CA ASP A 40 7.498 -4.522 12.439 1.00 21.41 C ATOM 656 C ASP A 40 8.090 -3.165 12.822 1.00 44.43 C ATOM 657 O ASP A 40 7.772 -2.620 13.878 1.00 41.25 O ATOM 658 CB ASP A 40 7.508 -5.410 13.685 1.00 71.40 C ATOM 659 CG ASP A 40 6.597 -6.638 13.611 1.00 4.25 C ATOM 660 OD1 ASP A 40 7.023 -7.724 13.192 1.00 73.31 O ATOM 661 OD2 ASP A 40 5.387 -6.443 14.013 1.00 30.41 O ATOM 0 H ASP A 40 9.274 -5.255 11.602 1.00 23.14 H new ATOM 0 HA ASP A 40 6.475 -4.416 12.079 1.00 21.41 H new ATOM 0 HB2 ASP A 40 8.529 -5.744 13.866 1.00 71.40 H new ATOM 0 HB3 ASP A 40 7.212 -4.808 14.544 1.00 71.40 H new ATOM 667 N ILE A 41 8.942 -2.657 11.942 1.00 34.32 N ATOM 668 CA ILE A 41 9.581 -1.373 12.175 1.00 63.54 C ATOM 669 C ILE A 41 8.708 -0.260 11.593 1.00 74.44 C ATOM 670 O ILE A 41 7.920 -0.499 10.679 1.00 53.44 O ATOM 671 CB ILE A 41 11.011 -1.381 11.630 1.00 22.02 C ATOM 672 CG1 ILE A 41 11.040 -0.961 10.159 1.00 20.31 C ATOM 673 CG2 ILE A 41 11.675 -2.742 11.851 1.00 13.11 C ATOM 674 CD1 ILE A 41 12.345 -1.397 9.490 1.00 21.30 C ATOM 0 H ILE A 41 9.204 -3.112 11.067 1.00 34.32 H new ATOM 0 HA ILE A 41 9.672 -1.181 13.244 1.00 63.54 H new ATOM 0 HB ILE A 41 11.592 -0.645 12.186 1.00 22.02 H new ATOM 0 HG12 ILE A 41 10.193 -1.403 9.634 1.00 20.31 H new ATOM 0 HG13 ILE A 41 10.932 0.121 10.084 1.00 20.31 H new ATOM 0 HG21 ILE A 41 12.690 -2.720 11.455 1.00 13.11 H new ATOM 0 HG22 ILE A 41 11.707 -2.962 12.918 1.00 13.11 H new ATOM 0 HG23 ILE A 41 11.102 -3.514 11.338 1.00 13.11 H new ATOM 0 HD11 ILE A 41 12.340 -1.086 8.445 1.00 21.30 H new ATOM 0 HD12 ILE A 41 13.189 -0.934 10.002 1.00 21.30 H new ATOM 0 HD13 ILE A 41 12.438 -2.482 9.545 1.00 21.30 H new ATOM 686 N PRO A 42 8.881 0.963 12.161 1.00 61.12 N ATOM 687 CA PRO A 42 8.118 2.113 11.708 1.00 12.42 C ATOM 688 C PRO A 42 8.641 2.625 10.365 1.00 65.25 C ATOM 689 O PRO A 42 9.850 2.659 10.137 1.00 31.44 O ATOM 690 CB PRO A 42 8.248 3.136 12.825 1.00 45.32 C ATOM 691 CG PRO A 42 9.453 2.705 13.646 1.00 12.31 C ATOM 692 CD PRO A 42 9.805 1.282 13.245 1.00 2.21 C ATOM 0 HA PRO A 42 7.070 1.876 11.523 1.00 12.42 H new ATOM 0 HB2 PRO A 42 8.388 4.139 12.422 1.00 45.32 H new ATOM 0 HB3 PRO A 42 7.347 3.162 13.438 1.00 45.32 H new ATOM 0 HG2 PRO A 42 10.296 3.372 13.466 1.00 12.31 H new ATOM 0 HG3 PRO A 42 9.228 2.757 14.711 1.00 12.31 H new ATOM 0 HD2 PRO A 42 10.842 1.208 12.916 1.00 2.21 H new ATOM 0 HD3 PRO A 42 9.686 0.594 14.082 1.00 2.21 H new ATOM 700 N GLU A 43 7.706 3.010 9.509 1.00 1.21 N ATOM 701 CA GLU A 43 8.058 3.518 8.194 1.00 1.51 C ATOM 702 C GLU A 43 8.923 4.773 8.324 1.00 5.53 C ATOM 703 O GLU A 43 8.935 5.418 9.372 1.00 22.20 O ATOM 704 CB GLU A 43 6.806 3.800 7.362 1.00 54.11 C ATOM 705 CG GLU A 43 7.084 3.606 5.870 1.00 55.01 C ATOM 706 CD GLU A 43 5.804 3.770 5.048 1.00 54.52 C ATOM 707 OE1 GLU A 43 5.002 2.829 4.953 1.00 21.05 O ATOM 708 OE2 GLU A 43 5.655 4.927 4.496 1.00 71.11 O ATOM 0 H GLU A 43 6.705 2.980 9.701 1.00 1.21 H new ATOM 0 HA GLU A 43 8.636 2.754 7.674 1.00 1.51 H new ATOM 0 HB2 GLU A 43 6.000 3.136 7.675 1.00 54.11 H new ATOM 0 HB3 GLU A 43 6.467 4.820 7.543 1.00 54.11 H new ATOM 0 HG2 GLU A 43 7.829 4.329 5.538 1.00 55.01 H new ATOM 0 HG3 GLU A 43 7.505 2.615 5.701 1.00 55.01 H new ATOM 716 N ILE A 44 9.627 5.083 7.245 1.00 11.01 N ATOM 717 CA ILE A 44 10.493 6.249 7.225 1.00 2.45 C ATOM 718 C ILE A 44 9.766 7.408 6.541 1.00 52.15 C ATOM 719 O ILE A 44 8.587 7.295 6.207 1.00 43.41 O ATOM 720 CB ILE A 44 11.840 5.906 6.587 1.00 64.41 C ATOM 721 CG1 ILE A 44 11.649 5.074 5.317 1.00 32.31 C ATOM 722 CG2 ILE A 44 12.763 5.213 7.592 1.00 11.21 C ATOM 723 CD1 ILE A 44 12.948 4.992 4.514 1.00 45.12 C ATOM 0 H ILE A 44 9.615 4.546 6.378 1.00 11.01 H new ATOM 0 HA ILE A 44 10.721 6.571 8.241 1.00 2.45 H new ATOM 0 HB ILE A 44 12.325 6.837 6.293 1.00 64.41 H new ATOM 0 HG12 ILE A 44 11.317 4.070 5.582 1.00 32.31 H new ATOM 0 HG13 ILE A 44 10.865 5.517 4.703 1.00 32.31 H new ATOM 0 HG21 ILE A 44 13.714 4.980 7.112 1.00 11.21 H new ATOM 0 HG22 ILE A 44 12.937 5.873 8.441 1.00 11.21 H new ATOM 0 HG23 ILE A 44 12.296 4.291 7.939 1.00 11.21 H new ATOM 0 HD11 ILE A 44 12.784 4.395 3.617 1.00 45.12 H new ATOM 0 HD12 ILE A 44 13.264 5.996 4.229 1.00 45.12 H new ATOM 0 HD13 ILE A 44 13.723 4.527 5.123 1.00 45.12 H new ATOM 735 N ASP A 45 10.499 8.496 6.351 1.00 34.42 N ATOM 736 CA ASP A 45 9.938 9.674 5.712 1.00 31.11 C ATOM 737 C ASP A 45 9.869 9.445 4.201 1.00 75.21 C ATOM 738 O ASP A 45 8.807 9.586 3.596 1.00 11.41 O ATOM 739 CB ASP A 45 10.811 10.905 5.964 1.00 73.01 C ATOM 740 CG ASP A 45 10.501 11.664 7.256 1.00 55.35 C ATOM 741 OD1 ASP A 45 10.347 11.063 8.329 1.00 64.30 O ATOM 742 OD2 ASP A 45 10.416 12.945 7.128 1.00 51.21 O ATOM 0 H ASP A 45 11.476 8.586 6.629 1.00 34.42 H new ATOM 0 HA ASP A 45 8.945 9.844 6.129 1.00 31.11 H new ATOM 0 HB2 ASP A 45 11.855 10.593 5.985 1.00 73.01 H new ATOM 0 HB3 ASP A 45 10.700 11.589 5.123 1.00 73.01 H new ATOM 748 N LYS A 46 11.014 9.095 3.635 1.00 71.55 N ATOM 749 CA LYS A 46 11.096 8.844 2.206 1.00 45.44 C ATOM 750 C LYS A 46 12.182 7.801 1.937 1.00 65.32 C ATOM 751 O LYS A 46 12.795 7.283 2.869 1.00 4.23 O ATOM 752 CB LYS A 46 11.301 10.155 1.443 1.00 10.01 C ATOM 753 CG LYS A 46 12.098 11.158 2.280 1.00 32.32 C ATOM 754 CD LYS A 46 13.472 10.595 2.648 1.00 45.24 C ATOM 755 CE LYS A 46 14.406 10.594 1.435 1.00 31.44 C ATOM 756 NZ LYS A 46 15.812 10.762 1.864 1.00 25.52 N ATOM 0 H LYS A 46 11.893 8.979 4.140 1.00 71.55 H new ATOM 0 HA LYS A 46 10.157 8.430 1.838 1.00 45.44 H new ATOM 0 HB2 LYS A 46 11.826 9.958 0.508 1.00 10.01 H new ATOM 0 HB3 LYS A 46 10.333 10.583 1.181 1.00 10.01 H new ATOM 0 HG2 LYS A 46 12.219 12.087 1.723 1.00 32.32 H new ATOM 0 HG3 LYS A 46 11.545 11.400 3.188 1.00 32.32 H new ATOM 0 HD2 LYS A 46 13.911 11.190 3.449 1.00 45.24 H new ATOM 0 HD3 LYS A 46 13.363 9.579 3.029 1.00 45.24 H new ATOM 0 HE2 LYS A 46 14.297 9.659 0.885 1.00 31.44 H new ATOM 0 HE3 LYS A 46 14.129 11.399 0.754 1.00 31.44 H new ATOM 0 HZ1 LYS A 46 16.247 11.542 1.331 1.00 25.52 H new ATOM 0 HZ2 LYS A 46 15.841 10.979 2.881 1.00 25.52 H new ATOM 0 HZ3 LYS A 46 16.338 9.883 1.682 1.00 25.52 H new ATOM 769 N ARG A 47 12.388 7.523 0.658 1.00 75.42 N ATOM 770 CA ARG A 47 13.389 6.550 0.255 1.00 71.05 C ATOM 771 C ARG A 47 14.448 7.213 -0.628 1.00 51.33 C ATOM 772 O ARG A 47 14.217 7.445 -1.814 1.00 75.50 O ATOM 773 CB ARG A 47 12.752 5.388 -0.511 1.00 13.44 C ATOM 774 CG ARG A 47 11.840 4.566 0.402 1.00 74.34 C ATOM 775 CD ARG A 47 10.400 5.082 0.348 1.00 4.42 C ATOM 776 NE ARG A 47 9.710 4.791 1.625 1.00 63.14 N ATOM 777 CZ ARG A 47 9.082 3.627 1.897 1.00 51.52 C ATOM 778 NH1 ARG A 47 9.051 2.635 0.982 1.00 23.02 N ATOM 779 NH2 ARG A 47 8.498 3.475 3.071 1.00 53.04 N ATOM 0 H ARG A 47 11.878 7.955 -0.113 1.00 75.42 H new ATOM 0 HA ARG A 47 13.856 6.161 1.160 1.00 71.05 H new ATOM 0 HB2 ARG A 47 12.178 5.774 -1.353 1.00 13.44 H new ATOM 0 HB3 ARG A 47 13.532 4.748 -0.924 1.00 13.44 H new ATOM 0 HG2 ARG A 47 11.866 3.519 0.101 1.00 74.34 H new ATOM 0 HG3 ARG A 47 12.208 4.612 1.427 1.00 74.34 H new ATOM 0 HD2 ARG A 47 10.396 6.156 0.160 1.00 4.42 H new ATOM 0 HD3 ARG A 47 9.867 4.612 -0.478 1.00 4.42 H new ATOM 0 HE ARG A 47 9.709 5.515 2.344 1.00 63.14 H new ATOM 0 HH11 ARG A 47 9.504 2.762 0.077 1.00 23.02 H new ATOM 0 HH12 ARG A 47 8.574 1.759 1.196 1.00 23.02 H new ATOM 0 HH21 ARG A 47 8.526 4.230 3.756 1.00 53.04 H new ATOM 0 HH22 ARG A 47 8.019 2.602 3.293 1.00 53.04 H new ATOM 792 N LYS A 48 15.587 7.501 -0.016 1.00 62.31 N ATOM 793 CA LYS A 48 16.683 8.133 -0.732 1.00 35.14 C ATOM 794 C LYS A 48 17.991 7.876 0.018 1.00 64.10 C ATOM 795 O LYS A 48 18.168 8.340 1.144 1.00 74.45 O ATOM 796 CB LYS A 48 16.387 9.616 -0.962 1.00 12.21 C ATOM 797 CG LYS A 48 16.986 10.096 -2.285 1.00 62.25 C ATOM 798 CD LYS A 48 16.803 11.605 -2.456 1.00 15.25 C ATOM 799 CE LYS A 48 17.840 12.379 -1.640 1.00 2.11 C ATOM 800 NZ LYS A 48 17.412 13.784 -1.456 1.00 61.10 N ATOM 0 H LYS A 48 15.775 7.308 0.968 1.00 62.31 H new ATOM 0 HA LYS A 48 16.793 7.696 -1.724 1.00 35.14 H new ATOM 0 HB2 LYS A 48 15.309 9.779 -0.966 1.00 12.21 H new ATOM 0 HB3 LYS A 48 16.795 10.204 -0.140 1.00 12.21 H new ATOM 0 HG2 LYS A 48 18.047 9.849 -2.318 1.00 62.25 H new ATOM 0 HG3 LYS A 48 16.511 9.572 -3.114 1.00 62.25 H new ATOM 0 HD2 LYS A 48 16.894 11.869 -3.510 1.00 15.25 H new ATOM 0 HD3 LYS A 48 15.800 11.891 -2.141 1.00 15.25 H new ATOM 0 HE2 LYS A 48 17.975 11.904 -0.668 1.00 2.11 H new ATOM 0 HE3 LYS A 48 18.805 12.350 -2.146 1.00 2.11 H new ATOM 0 HZ1 LYS A 48 18.127 14.295 -0.900 1.00 61.10 H new ATOM 0 HZ2 LYS A 48 17.306 14.239 -2.385 1.00 61.10 H new ATOM 0 HZ3 LYS A 48 16.502 13.807 -0.953 1.00 61.10 H new ATOM 813 N TYR A 49 18.876 7.138 -0.636 1.00 72.34 N ATOM 814 CA TYR A 49 20.163 6.813 -0.046 1.00 2.50 C ATOM 815 C TYR A 49 21.307 7.149 -1.006 1.00 33.13 C ATOM 816 O TYR A 49 21.669 6.335 -1.853 1.00 65.23 O ATOM 817 CB TYR A 49 20.146 5.304 0.200 1.00 61.51 C ATOM 818 CG TYR A 49 19.078 4.847 1.196 1.00 41.40 C ATOM 819 CD1 TYR A 49 19.363 4.813 2.546 1.00 61.02 C ATOM 820 CD2 TYR A 49 17.829 4.470 0.744 1.00 5.35 C ATOM 821 CE1 TYR A 49 18.358 4.384 3.483 1.00 31.43 C ATOM 822 CE2 TYR A 49 16.824 4.041 1.682 1.00 63.01 C ATOM 823 CZ TYR A 49 17.138 4.019 3.005 1.00 21.20 C ATOM 824 OH TYR A 49 16.189 3.613 3.890 1.00 13.34 O ATOM 0 H TYR A 49 18.727 6.756 -1.570 1.00 72.34 H new ATOM 0 HA TYR A 49 20.320 7.383 0.869 1.00 2.50 H new ATOM 0 HB2 TYR A 49 19.985 4.793 -0.749 1.00 61.51 H new ATOM 0 HB3 TYR A 49 21.125 4.995 0.566 1.00 61.51 H new ATOM 0 HD1 TYR A 49 20.340 5.108 2.899 1.00 61.02 H new ATOM 0 HD2 TYR A 49 17.606 4.497 -0.312 1.00 5.35 H new ATOM 0 HE1 TYR A 49 18.568 4.353 4.542 1.00 31.43 H new ATOM 0 HE2 TYR A 49 15.843 3.743 1.342 1.00 63.01 H new ATOM 0 HH TYR A 49 15.368 3.384 3.407 1.00 13.34 H new ATOM 834 N LEU A 50 21.843 8.349 -0.840 1.00 53.21 N ATOM 835 CA LEU A 50 22.938 8.802 -1.681 1.00 54.41 C ATOM 836 C LEU A 50 24.262 8.596 -0.943 1.00 35.43 C ATOM 837 O LEU A 50 24.695 9.461 -0.184 1.00 11.21 O ATOM 838 CB LEU A 50 22.704 10.245 -2.133 1.00 43.40 C ATOM 839 CG LEU A 50 21.968 10.421 -3.463 1.00 12.14 C ATOM 840 CD1 LEU A 50 21.635 11.893 -3.715 1.00 21.04 C ATOM 841 CD2 LEU A 50 22.765 9.808 -4.616 1.00 14.01 C ATOM 0 H LEU A 50 21.540 9.021 -0.136 1.00 53.21 H new ATOM 0 HA LEU A 50 22.987 8.210 -2.595 1.00 54.41 H new ATOM 0 HB2 LEU A 50 22.139 10.761 -1.357 1.00 43.40 H new ATOM 0 HB3 LEU A 50 23.671 10.743 -2.207 1.00 43.40 H new ATOM 0 HG LEU A 50 21.022 9.883 -3.404 1.00 12.14 H new ATOM 0 HD11 LEU A 50 21.112 11.990 -4.667 1.00 21.04 H new ATOM 0 HD12 LEU A 50 20.999 12.265 -2.912 1.00 21.04 H new ATOM 0 HD13 LEU A 50 22.557 12.474 -3.746 1.00 21.04 H new ATOM 0 HD21 LEU A 50 22.220 9.947 -5.550 1.00 14.01 H new ATOM 0 HD22 LEU A 50 23.737 10.297 -4.687 1.00 14.01 H new ATOM 0 HD23 LEU A 50 22.907 8.743 -4.434 1.00 14.01 H new ATOM 853 N VAL A 51 24.867 7.444 -1.191 1.00 30.42 N ATOM 854 CA VAL A 51 26.133 7.112 -0.559 1.00 12.11 C ATOM 855 C VAL A 51 27.238 7.102 -1.616 1.00 65.13 C ATOM 856 O VAL A 51 26.972 6.881 -2.797 1.00 33.05 O ATOM 857 CB VAL A 51 26.011 5.784 0.192 1.00 41.34 C ATOM 858 CG1 VAL A 51 25.714 6.018 1.674 1.00 20.32 C ATOM 859 CG2 VAL A 51 24.947 4.889 -0.447 1.00 0.33 C ATOM 0 H VAL A 51 24.504 6.728 -1.821 1.00 30.42 H new ATOM 0 HA VAL A 51 26.399 7.865 0.182 1.00 12.11 H new ATOM 0 HB VAL A 51 26.969 5.269 0.120 1.00 41.34 H new ATOM 0 HG11 VAL A 51 25.632 5.058 2.185 1.00 20.32 H new ATOM 0 HG12 VAL A 51 26.522 6.598 2.120 1.00 20.32 H new ATOM 0 HG13 VAL A 51 24.776 6.564 1.775 1.00 20.32 H new ATOM 0 HG21 VAL A 51 24.880 3.952 0.106 1.00 0.33 H new ATOM 0 HG22 VAL A 51 23.982 5.395 -0.421 1.00 0.33 H new ATOM 0 HG23 VAL A 51 25.220 4.681 -1.482 1.00 0.33 H new ATOM 869 N PRO A 52 28.489 7.350 -1.143 1.00 11.43 N ATOM 870 CA PRO A 52 29.636 7.372 -2.034 1.00 62.11 C ATOM 871 C PRO A 52 30.037 5.954 -2.447 1.00 13.12 C ATOM 872 O PRO A 52 29.493 4.977 -1.934 1.00 0.45 O ATOM 873 CB PRO A 52 30.725 8.094 -1.257 1.00 14.21 C ATOM 874 CG PRO A 52 30.302 8.039 0.202 1.00 33.11 C ATOM 875 CD PRO A 52 28.842 7.616 0.249 1.00 44.34 C ATOM 0 HA PRO A 52 29.429 7.885 -2.973 1.00 62.11 H new ATOM 0 HB2 PRO A 52 31.692 7.613 -1.402 1.00 14.21 H new ATOM 0 HB3 PRO A 52 30.828 9.125 -1.595 1.00 14.21 H new ATOM 0 HG2 PRO A 52 30.922 7.332 0.753 1.00 33.11 H new ATOM 0 HG3 PRO A 52 30.433 9.013 0.674 1.00 33.11 H new ATOM 0 HD2 PRO A 52 28.706 6.729 0.868 1.00 44.34 H new ATOM 0 HD3 PRO A 52 28.216 8.401 0.674 1.00 44.34 H new ATOM 883 N ALA A 53 30.984 5.886 -3.370 1.00 45.31 N ATOM 884 CA ALA A 53 31.464 4.604 -3.858 1.00 2.35 C ATOM 885 C ALA A 53 32.637 4.141 -2.991 1.00 62.24 C ATOM 886 O ALA A 53 33.419 3.286 -3.405 1.00 20.12 O ATOM 887 CB ALA A 53 31.844 4.729 -5.334 1.00 55.05 C ATOM 0 H ALA A 53 31.433 6.698 -3.794 1.00 45.31 H new ATOM 0 HA ALA A 53 30.682 3.848 -3.786 1.00 2.35 H new ATOM 0 HB1 ALA A 53 32.204 3.767 -5.700 1.00 55.05 H new ATOM 0 HB2 ALA A 53 30.970 5.032 -5.910 1.00 55.05 H new ATOM 0 HB3 ALA A 53 32.629 5.477 -5.445 1.00 55.05 H new ATOM 893 N ASP A 54 32.723 4.726 -1.806 1.00 30.44 N ATOM 894 CA ASP A 54 33.787 4.383 -0.878 1.00 4.34 C ATOM 895 C ASP A 54 33.175 3.862 0.424 1.00 3.43 C ATOM 896 O ASP A 54 33.897 3.473 1.341 1.00 34.13 O ATOM 897 CB ASP A 54 34.641 5.608 -0.542 1.00 54.10 C ATOM 898 CG ASP A 54 35.350 6.249 -1.737 1.00 21.14 C ATOM 899 OD1 ASP A 54 34.735 6.979 -2.528 1.00 62.44 O ATOM 900 OD2 ASP A 54 36.605 5.969 -1.840 1.00 21.34 O ATOM 0 H ASP A 54 32.073 5.435 -1.467 1.00 30.44 H new ATOM 0 HA ASP A 54 34.413 3.625 -1.348 1.00 4.34 H new ATOM 0 HB2 ASP A 54 34.005 6.358 -0.071 1.00 54.10 H new ATOM 0 HB3 ASP A 54 35.391 5.319 0.194 1.00 54.10 H new ATOM 906 N LEU A 55 31.851 3.872 0.464 1.00 50.54 N ATOM 907 CA LEU A 55 31.134 3.406 1.638 1.00 74.11 C ATOM 908 C LEU A 55 30.876 1.903 1.509 1.00 12.32 C ATOM 909 O LEU A 55 30.857 1.366 0.403 1.00 24.41 O ATOM 910 CB LEU A 55 29.864 4.232 1.853 1.00 75.40 C ATOM 911 CG LEU A 55 28.930 3.749 2.965 1.00 72.44 C ATOM 912 CD1 LEU A 55 28.214 4.926 3.629 1.00 34.12 C ATOM 913 CD2 LEU A 55 27.946 2.702 2.438 1.00 55.31 C ATOM 0 H LEU A 55 31.256 4.196 -0.298 1.00 50.54 H new ATOM 0 HA LEU A 55 31.736 3.551 2.535 1.00 74.11 H new ATOM 0 HB2 LEU A 55 30.155 5.259 2.071 1.00 75.40 H new ATOM 0 HB3 LEU A 55 29.304 4.251 0.918 1.00 75.40 H new ATOM 0 HG LEU A 55 29.534 3.265 3.733 1.00 72.44 H new ATOM 0 HD11 LEU A 55 27.557 4.555 4.415 1.00 34.12 H new ATOM 0 HD12 LEU A 55 28.951 5.603 4.061 1.00 34.12 H new ATOM 0 HD13 LEU A 55 27.624 5.460 2.884 1.00 34.12 H new ATOM 0 HD21 LEU A 55 27.294 2.375 3.248 1.00 55.31 H new ATOM 0 HD22 LEU A 55 27.344 3.137 1.641 1.00 55.31 H new ATOM 0 HD23 LEU A 55 28.498 1.846 2.050 1.00 55.31 H new ATOM 925 N THR A 56 30.683 1.268 2.656 1.00 41.02 N ATOM 926 CA THR A 56 30.427 -0.162 2.685 1.00 22.02 C ATOM 927 C THR A 56 28.991 -0.438 3.133 1.00 15.52 C ATOM 928 O THR A 56 28.336 0.434 3.704 1.00 44.02 O ATOM 929 CB THR A 56 31.480 -0.812 3.585 1.00 33.24 C ATOM 930 OG1 THR A 56 31.051 -0.494 4.907 1.00 74.54 O ATOM 931 CG2 THR A 56 32.849 -0.139 3.466 1.00 34.23 C ATOM 0 H THR A 56 30.699 1.717 3.572 1.00 41.02 H new ATOM 0 HA THR A 56 30.513 -0.600 1.690 1.00 22.02 H new ATOM 0 HB THR A 56 31.572 -1.868 3.331 1.00 33.24 H new ATOM 0 HG1 THR A 56 30.834 -1.320 5.388 1.00 74.54 H new ATOM 0 HG21 THR A 56 33.559 -0.639 4.125 1.00 34.23 H new ATOM 0 HG22 THR A 56 33.200 -0.207 2.436 1.00 34.23 H new ATOM 0 HG23 THR A 56 32.765 0.910 3.752 1.00 34.23 H new ATOM 939 N VAL A 57 28.542 -1.653 2.858 1.00 74.23 N ATOM 940 CA VAL A 57 27.194 -2.055 3.225 1.00 3.42 C ATOM 941 C VAL A 57 26.954 -1.728 4.701 1.00 61.25 C ATOM 942 O VAL A 57 25.920 -1.164 5.055 1.00 61.01 O ATOM 943 CB VAL A 57 26.981 -3.534 2.898 1.00 43.13 C ATOM 944 CG1 VAL A 57 25.633 -4.024 3.429 1.00 71.32 C ATOM 945 CG2 VAL A 57 27.103 -3.785 1.393 1.00 34.44 C ATOM 0 H VAL A 57 29.088 -2.373 2.385 1.00 74.23 H new ATOM 0 HA VAL A 57 26.458 -1.499 2.644 1.00 3.42 H new ATOM 0 HB VAL A 57 27.764 -4.105 3.397 1.00 43.13 H new ATOM 0 HG11 VAL A 57 25.507 -5.078 3.183 1.00 71.32 H new ATOM 0 HG12 VAL A 57 25.600 -3.897 4.511 1.00 71.32 H new ATOM 0 HG13 VAL A 57 24.830 -3.446 2.972 1.00 71.32 H new ATOM 0 HG21 VAL A 57 26.947 -4.844 1.187 1.00 34.44 H new ATOM 0 HG22 VAL A 57 26.352 -3.198 0.864 1.00 34.44 H new ATOM 0 HG23 VAL A 57 28.097 -3.492 1.055 1.00 34.44 H new ATOM 955 N GLY A 58 27.927 -2.097 5.521 1.00 33.21 N ATOM 956 CA GLY A 58 27.834 -1.851 6.950 1.00 1.21 C ATOM 957 C GLY A 58 27.203 -0.486 7.231 1.00 2.54 C ATOM 958 O GLY A 58 26.131 -0.404 7.829 1.00 61.42 O ATOM 0 H GLY A 58 28.783 -2.564 5.223 1.00 33.21 H new ATOM 0 HA2 GLY A 58 27.239 -2.634 7.420 1.00 1.21 H new ATOM 0 HA3 GLY A 58 28.828 -1.895 7.396 1.00 1.21 H new ATOM 962 N GLN A 59 27.895 0.553 6.787 1.00 4.34 N ATOM 963 CA GLN A 59 27.416 1.911 6.984 1.00 63.12 C ATOM 964 C GLN A 59 25.919 1.995 6.679 1.00 64.01 C ATOM 965 O GLN A 59 25.142 2.484 7.497 1.00 1.22 O ATOM 966 CB GLN A 59 28.207 2.901 6.126 1.00 31.20 C ATOM 967 CG GLN A 59 29.686 2.907 6.518 1.00 31.20 C ATOM 968 CD GLN A 59 29.956 3.929 7.624 1.00 33.34 C ATOM 969 OE1 GLN A 59 29.327 3.930 8.670 1.00 1.41 O ATOM 970 NE2 GLN A 59 30.923 4.795 7.337 1.00 61.23 N ATOM 0 H GLN A 59 28.784 0.482 6.291 1.00 4.34 H new ATOM 0 HA GLN A 59 27.570 2.182 8.028 1.00 63.12 H new ATOM 0 HB2 GLN A 59 28.107 2.636 5.073 1.00 31.20 H new ATOM 0 HB3 GLN A 59 27.792 3.902 6.243 1.00 31.20 H new ATOM 0 HG2 GLN A 59 29.980 1.913 6.856 1.00 31.20 H new ATOM 0 HG3 GLN A 59 30.296 3.140 5.645 1.00 31.20 H new ATOM 0 HE21 GLN A 59 31.410 4.738 6.442 1.00 61.23 H new ATOM 0 HE22 GLN A 59 31.178 5.516 8.011 1.00 61.23 H new ATOM 979 N PHE A 60 25.560 1.510 5.499 1.00 1.34 N ATOM 980 CA PHE A 60 24.170 1.524 5.076 1.00 0.53 C ATOM 981 C PHE A 60 23.248 1.063 6.207 1.00 41.21 C ATOM 982 O PHE A 60 22.383 1.815 6.654 1.00 44.44 O ATOM 983 CB PHE A 60 24.049 0.548 3.905 1.00 21.30 C ATOM 984 CG PHE A 60 22.851 0.816 2.992 1.00 42.52 C ATOM 985 CD1 PHE A 60 22.966 1.695 1.960 1.00 65.11 C ATOM 986 CD2 PHE A 60 21.671 0.177 3.212 1.00 2.20 C ATOM 987 CE1 PHE A 60 21.855 1.944 1.112 1.00 12.44 C ATOM 988 CE2 PHE A 60 20.559 0.427 2.365 1.00 65.34 C ATOM 989 CZ PHE A 60 20.675 1.305 1.333 1.00 52.14 C ATOM 0 H PHE A 60 26.208 1.105 4.823 1.00 1.34 H new ATOM 0 HA PHE A 60 23.877 2.535 4.794 1.00 0.53 H new ATOM 0 HB2 PHE A 60 24.962 0.594 3.312 1.00 21.30 H new ATOM 0 HB3 PHE A 60 23.974 -0.466 4.297 1.00 21.30 H new ATOM 0 HD1 PHE A 60 23.903 2.204 1.786 1.00 65.11 H new ATOM 0 HD2 PHE A 60 21.580 -0.521 4.031 1.00 2.20 H new ATOM 0 HE1 PHE A 60 21.947 2.641 0.292 1.00 12.44 H new ATOM 0 HE2 PHE A 60 19.622 -0.080 2.540 1.00 65.34 H new ATOM 0 HZ PHE A 60 19.829 1.495 0.688 1.00 52.14 H new ATOM 999 N VAL A 61 23.464 -0.171 6.637 1.00 21.13 N ATOM 1000 CA VAL A 61 22.663 -0.742 7.707 1.00 4.52 C ATOM 1001 C VAL A 61 22.424 0.321 8.782 1.00 43.13 C ATOM 1002 O VAL A 61 21.372 0.340 9.418 1.00 53.13 O ATOM 1003 CB VAL A 61 23.339 -2.001 8.252 1.00 24.32 C ATOM 1004 CG1 VAL A 61 22.496 -2.642 9.356 1.00 21.03 C ATOM 1005 CG2 VAL A 61 23.623 -3.001 7.129 1.00 4.31 C ATOM 0 H VAL A 61 24.182 -0.792 6.264 1.00 21.13 H new ATOM 0 HA VAL A 61 21.687 -1.050 7.331 1.00 4.52 H new ATOM 0 HB VAL A 61 24.294 -1.706 8.688 1.00 24.32 H new ATOM 0 HG11 VAL A 61 22.999 -3.535 9.726 1.00 21.03 H new ATOM 0 HG12 VAL A 61 22.367 -1.933 10.174 1.00 21.03 H new ATOM 0 HG13 VAL A 61 21.520 -2.915 8.956 1.00 21.03 H new ATOM 0 HG21 VAL A 61 24.104 -3.887 7.544 1.00 4.31 H new ATOM 0 HG22 VAL A 61 22.686 -3.287 6.651 1.00 4.31 H new ATOM 0 HG23 VAL A 61 24.282 -2.542 6.391 1.00 4.31 H new ATOM 1015 N TYR A 62 23.419 1.180 8.951 1.00 60.20 N ATOM 1016 CA TYR A 62 23.330 2.243 9.937 1.00 22.05 C ATOM 1017 C TYR A 62 22.553 3.440 9.385 1.00 31.34 C ATOM 1018 O TYR A 62 21.721 4.019 10.082 1.00 31.21 O ATOM 1019 CB TYR A 62 24.770 2.674 10.224 1.00 21.52 C ATOM 1020 CG TYR A 62 24.987 3.219 11.637 1.00 31.31 C ATOM 1021 CD1 TYR A 62 25.265 2.353 12.676 1.00 53.24 C ATOM 1022 CD2 TYR A 62 24.905 4.576 11.873 1.00 14.03 C ATOM 1023 CE1 TYR A 62 25.469 2.866 14.006 1.00 53.35 C ATOM 1024 CE2 TYR A 62 25.109 5.089 13.203 1.00 13.13 C ATOM 1025 CZ TYR A 62 25.381 4.209 14.204 1.00 74.13 C ATOM 1026 OH TYR A 62 25.573 4.694 15.460 1.00 63.53 O ATOM 0 H TYR A 62 24.291 1.161 8.422 1.00 60.20 H new ATOM 0 HA TYR A 62 22.812 1.895 10.830 1.00 22.05 H new ATOM 0 HB2 TYR A 62 25.431 1.821 10.069 1.00 21.52 H new ATOM 0 HB3 TYR A 62 25.060 3.438 9.503 1.00 21.52 H new ATOM 0 HD1 TYR A 62 25.329 1.291 12.491 1.00 53.24 H new ATOM 0 HD2 TYR A 62 24.688 5.253 11.060 1.00 14.03 H new ATOM 0 HE1 TYR A 62 25.687 2.200 14.828 1.00 53.35 H new ATOM 0 HE2 TYR A 62 25.047 6.149 13.401 1.00 13.13 H new ATOM 0 HH TYR A 62 25.481 5.670 15.451 1.00 63.53 H new ATOM 1036 N VAL A 63 22.852 3.775 8.139 1.00 71.21 N ATOM 1037 CA VAL A 63 22.192 4.892 7.485 1.00 14.04 C ATOM 1038 C VAL A 63 20.679 4.770 7.681 1.00 41.11 C ATOM 1039 O VAL A 63 20.010 5.751 8.001 1.00 11.31 O ATOM 1040 CB VAL A 63 22.601 4.953 6.012 1.00 21.04 C ATOM 1041 CG1 VAL A 63 21.556 5.702 5.183 1.00 33.24 C ATOM 1042 CG2 VAL A 63 23.984 5.587 5.854 1.00 42.53 C ATOM 0 H VAL A 63 23.543 3.292 7.565 1.00 71.21 H new ATOM 0 HA VAL A 63 22.503 5.835 7.934 1.00 14.04 H new ATOM 0 HB VAL A 63 22.656 3.931 5.637 1.00 21.04 H new ATOM 0 HG11 VAL A 63 21.871 5.731 4.140 1.00 33.24 H new ATOM 0 HG12 VAL A 63 20.597 5.190 5.258 1.00 33.24 H new ATOM 0 HG13 VAL A 63 21.454 6.720 5.559 1.00 33.24 H new ATOM 0 HG21 VAL A 63 24.251 5.619 4.798 1.00 42.53 H new ATOM 0 HG22 VAL A 63 23.968 6.601 6.255 1.00 42.53 H new ATOM 0 HG23 VAL A 63 24.720 4.994 6.397 1.00 42.53 H new ATOM 1052 N ILE A 64 20.184 3.558 7.480 1.00 25.40 N ATOM 1053 CA ILE A 64 18.763 3.295 7.630 1.00 23.42 C ATOM 1054 C ILE A 64 18.363 3.498 9.093 1.00 42.11 C ATOM 1055 O ILE A 64 17.423 4.235 9.386 1.00 31.22 O ATOM 1056 CB ILE A 64 18.414 1.909 7.084 1.00 22.32 C ATOM 1057 CG1 ILE A 64 18.401 1.910 5.554 1.00 32.52 C ATOM 1058 CG2 ILE A 64 17.093 1.406 7.669 1.00 54.02 C ATOM 1059 CD1 ILE A 64 19.798 2.184 4.994 1.00 71.52 C ATOM 0 H ILE A 64 20.742 2.747 7.214 1.00 25.40 H new ATOM 0 HA ILE A 64 18.180 4.001 7.039 1.00 23.42 H new ATOM 0 HB ILE A 64 19.191 1.212 7.399 1.00 22.32 H new ATOM 0 HG12 ILE A 64 18.041 0.948 5.189 1.00 32.52 H new ATOM 0 HG13 ILE A 64 17.706 2.668 5.193 1.00 32.52 H new ATOM 0 HG21 ILE A 64 16.868 0.419 7.265 1.00 54.02 H new ATOM 0 HG22 ILE A 64 17.176 1.343 8.754 1.00 54.02 H new ATOM 0 HG23 ILE A 64 16.292 2.097 7.406 1.00 54.02 H new ATOM 0 HD11 ILE A 64 19.761 2.179 3.905 1.00 71.52 H new ATOM 0 HD12 ILE A 64 20.145 3.157 5.341 1.00 71.52 H new ATOM 0 HD13 ILE A 64 20.486 1.411 5.337 1.00 71.52 H new ATOM 1071 N ARG A 65 19.097 2.832 9.972 1.00 62.00 N ATOM 1072 CA ARG A 65 18.831 2.930 11.397 1.00 53.50 C ATOM 1073 C ARG A 65 18.639 4.394 11.801 1.00 21.43 C ATOM 1074 O ARG A 65 17.981 4.685 12.799 1.00 61.50 O ATOM 1075 CB ARG A 65 19.975 2.328 12.214 1.00 4.43 C ATOM 1076 CG ARG A 65 19.446 1.631 13.469 1.00 73.33 C ATOM 1077 CD ARG A 65 19.452 2.580 14.668 1.00 12.43 C ATOM 1078 NE ARG A 65 20.788 3.200 14.817 1.00 72.33 N ATOM 1079 CZ ARG A 65 21.800 2.655 15.524 1.00 23.30 C ATOM 1080 NH1 ARG A 65 21.637 1.472 16.155 1.00 53.42 N ATOM 1081 NH2 ARG A 65 22.953 3.295 15.590 1.00 54.23 N ATOM 0 H ARG A 65 19.876 2.222 9.725 1.00 62.00 H new ATOM 0 HA ARG A 65 17.919 2.370 11.604 1.00 53.50 H new ATOM 0 HB2 ARG A 65 20.527 1.614 11.602 1.00 4.43 H new ATOM 0 HB3 ARG A 65 20.676 3.113 12.498 1.00 4.43 H new ATOM 0 HG2 ARG A 65 18.432 1.272 13.290 1.00 73.33 H new ATOM 0 HG3 ARG A 65 20.059 0.757 13.690 1.00 73.33 H new ATOM 0 HD2 ARG A 65 18.696 3.354 14.534 1.00 12.43 H new ATOM 0 HD3 ARG A 65 19.192 2.035 15.575 1.00 12.43 H new ATOM 0 HE ARG A 65 20.954 4.095 14.357 1.00 72.33 H new ATOM 0 HH11 ARG A 65 20.744 0.983 16.099 1.00 53.42 H new ATOM 0 HH12 ARG A 65 22.407 1.067 16.687 1.00 53.42 H new ATOM 0 HH21 ARG A 65 23.069 4.188 15.111 1.00 54.23 H new ATOM 0 HH22 ARG A 65 23.728 2.897 16.120 1.00 54.23 H new ATOM 1094 N LYS A 66 19.226 5.276 11.006 1.00 71.21 N ATOM 1095 CA LYS A 66 19.128 6.702 11.268 1.00 31.44 C ATOM 1096 C LYS A 66 17.768 7.212 10.788 1.00 41.12 C ATOM 1097 O LYS A 66 17.108 7.980 11.485 1.00 15.33 O ATOM 1098 CB LYS A 66 20.316 7.443 10.652 1.00 70.22 C ATOM 1099 CG LYS A 66 21.629 7.020 11.313 1.00 23.51 C ATOM 1100 CD LYS A 66 21.564 7.205 12.830 1.00 11.14 C ATOM 1101 CE LYS A 66 21.034 8.595 13.190 1.00 25.45 C ATOM 1102 NZ LYS A 66 21.709 9.633 12.379 1.00 21.52 N ATOM 0 H LYS A 66 19.771 5.031 10.180 1.00 71.21 H new ATOM 0 HA LYS A 66 19.182 6.897 12.339 1.00 31.44 H new ATOM 0 HB2 LYS A 66 20.361 7.239 9.582 1.00 70.22 H new ATOM 0 HB3 LYS A 66 20.177 8.518 10.766 1.00 70.22 H new ATOM 0 HG2 LYS A 66 21.838 5.976 11.079 1.00 23.51 H new ATOM 0 HG3 LYS A 66 22.451 7.609 10.906 1.00 23.51 H new ATOM 0 HD2 LYS A 66 20.919 6.442 13.266 1.00 11.14 H new ATOM 0 HD3 LYS A 66 22.556 7.068 13.260 1.00 11.14 H new ATOM 0 HE2 LYS A 66 19.958 8.635 13.021 1.00 25.45 H new ATOM 0 HE3 LYS A 66 21.197 8.790 14.250 1.00 25.45 H new ATOM 0 HZ1 LYS A 66 21.938 10.450 12.981 1.00 21.52 H new ATOM 0 HZ2 LYS A 66 22.585 9.244 11.976 1.00 21.52 H new ATOM 0 HZ3 LYS A 66 21.079 9.936 11.609 1.00 21.52 H new ATOM 1115 N ARG A 67 17.390 6.764 9.599 1.00 1.54 N ATOM 1116 CA ARG A 67 16.121 7.166 9.017 1.00 12.34 C ATOM 1117 C ARG A 67 14.966 6.780 9.943 1.00 30.55 C ATOM 1118 O ARG A 67 13.932 7.445 9.963 1.00 11.23 O ATOM 1119 CB ARG A 67 15.910 6.512 7.650 1.00 2.43 C ATOM 1120 CG ARG A 67 16.551 7.346 6.539 1.00 2.21 C ATOM 1121 CD ARG A 67 15.547 8.338 5.949 1.00 11.43 C ATOM 1122 NE ARG A 67 15.660 9.643 6.639 1.00 34.10 N ATOM 1123 CZ ARG A 67 16.676 10.512 6.454 1.00 62.32 C ATOM 1124 NH1 ARG A 67 17.678 10.221 5.597 1.00 2.21 N ATOM 1125 NH2 ARG A 67 16.676 11.649 7.123 1.00 12.41 N ATOM 0 H ARG A 67 17.940 6.127 9.023 1.00 1.54 H new ATOM 0 HA ARG A 67 16.143 8.248 8.890 1.00 12.34 H new ATOM 0 HB2 ARG A 67 16.340 5.510 7.652 1.00 2.43 H new ATOM 0 HB3 ARG A 67 14.843 6.401 7.457 1.00 2.43 H new ATOM 0 HG2 ARG A 67 17.411 7.886 6.935 1.00 2.21 H new ATOM 0 HG3 ARG A 67 16.922 6.688 5.753 1.00 2.21 H new ATOM 0 HD2 ARG A 67 15.732 8.464 4.882 1.00 11.43 H new ATOM 0 HD3 ARG A 67 14.534 7.949 6.053 1.00 11.43 H new ATOM 0 HE ARG A 67 14.924 9.902 7.296 1.00 34.10 H new ATOM 0 HH11 ARG A 67 17.671 9.339 5.084 1.00 2.21 H new ATOM 0 HH12 ARG A 67 18.442 10.883 5.462 1.00 2.21 H new ATOM 0 HH21 ARG A 67 15.915 11.861 7.769 1.00 12.41 H new ATOM 0 HH22 ARG A 67 17.437 12.316 6.994 1.00 12.41 H new ATOM 1138 N ILE A 68 15.181 5.705 10.688 1.00 21.10 N ATOM 1139 CA ILE A 68 14.171 5.222 11.614 1.00 20.40 C ATOM 1140 C ILE A 68 14.614 5.522 13.047 1.00 11.04 C ATOM 1141 O ILE A 68 13.837 5.362 13.987 1.00 30.44 O ATOM 1142 CB ILE A 68 13.875 3.742 11.359 1.00 14.42 C ATOM 1143 CG1 ILE A 68 15.150 2.984 10.984 1.00 55.42 C ATOM 1144 CG2 ILE A 68 12.778 3.577 10.305 1.00 32.44 C ATOM 1145 CD1 ILE A 68 14.892 1.478 10.916 1.00 73.25 C ATOM 0 H ILE A 68 16.040 5.155 10.669 1.00 21.10 H new ATOM 0 HA ILE A 68 13.228 5.744 11.456 1.00 20.40 H new ATOM 0 HB ILE A 68 13.501 3.304 12.284 1.00 14.42 H new ATOM 0 HG12 ILE A 68 15.518 3.338 10.021 1.00 55.42 H new ATOM 0 HG13 ILE A 68 15.929 3.190 11.718 1.00 55.42 H new ATOM 0 HG21 ILE A 68 12.587 2.516 10.142 1.00 32.44 H new ATOM 0 HG22 ILE A 68 11.865 4.062 10.651 1.00 32.44 H new ATOM 0 HG23 ILE A 68 13.100 4.035 9.370 1.00 32.44 H new ATOM 0 HD11 ILE A 68 15.814 0.963 10.648 1.00 73.25 H new ATOM 0 HD12 ILE A 68 14.548 1.124 11.888 1.00 73.25 H new ATOM 0 HD13 ILE A 68 14.130 1.273 10.164 1.00 73.25 H new ATOM 1157 N MET A 69 15.861 5.953 13.170 1.00 71.35 N ATOM 1158 CA MET A 69 16.416 6.277 14.472 1.00 4.04 C ATOM 1159 C MET A 69 15.986 5.251 15.523 1.00 50.22 C ATOM 1160 O MET A 69 15.518 5.619 16.599 1.00 35.31 O ATOM 1161 CB MET A 69 15.946 7.670 14.896 1.00 74.21 C ATOM 1162 CG MET A 69 14.419 7.730 14.980 1.00 1.52 C ATOM 1163 SD MET A 69 13.910 9.269 15.728 1.00 34.12 S ATOM 1164 CE MET A 69 14.661 10.427 14.597 1.00 4.42 C ATOM 0 H MET A 69 16.503 6.085 12.388 1.00 71.35 H new ATOM 0 HA MET A 69 17.503 6.258 14.397 1.00 4.04 H new ATOM 0 HB2 MET A 69 16.378 7.925 15.864 1.00 74.21 H new ATOM 0 HB3 MET A 69 16.304 8.412 14.182 1.00 74.21 H new ATOM 0 HG2 MET A 69 13.988 7.640 13.983 1.00 1.52 H new ATOM 0 HG3 MET A 69 14.045 6.890 15.566 1.00 1.52 H new ATOM 0 HE1 MET A 69 14.159 11.391 14.677 1.00 4.42 H new ATOM 0 HE2 MET A 69 15.716 10.545 14.845 1.00 4.42 H new ATOM 0 HE3 MET A 69 14.567 10.053 13.578 1.00 4.42 H new ATOM 1174 N LEU A 70 16.160 3.985 15.173 1.00 3.14 N ATOM 1175 CA LEU A 70 15.796 2.904 16.073 1.00 72.53 C ATOM 1176 C LEU A 70 16.697 2.948 17.308 1.00 32.14 C ATOM 1177 O LEU A 70 17.735 3.608 17.301 1.00 53.00 O ATOM 1178 CB LEU A 70 15.826 1.562 15.337 1.00 1.23 C ATOM 1179 CG LEU A 70 14.465 0.938 15.024 1.00 54.21 C ATOM 1180 CD1 LEU A 70 13.426 2.017 14.713 1.00 54.22 C ATOM 1181 CD2 LEU A 70 14.579 -0.090 13.896 1.00 1.53 C ATOM 0 H LEU A 70 16.548 3.684 14.279 1.00 3.14 H new ATOM 0 HA LEU A 70 14.771 3.028 16.422 1.00 72.53 H new ATOM 0 HB2 LEU A 70 16.366 1.696 14.400 1.00 1.23 H new ATOM 0 HB3 LEU A 70 16.399 0.854 15.936 1.00 1.23 H new ATOM 0 HG LEU A 70 14.121 0.406 15.911 1.00 54.21 H new ATOM 0 HD11 LEU A 70 12.467 1.547 14.494 1.00 54.22 H new ATOM 0 HD12 LEU A 70 13.318 2.677 15.574 1.00 54.22 H new ATOM 0 HD13 LEU A 70 13.751 2.597 13.849 1.00 54.22 H new ATOM 0 HD21 LEU A 70 13.597 -0.518 13.694 1.00 1.53 H new ATOM 0 HD22 LEU A 70 14.955 0.397 12.996 1.00 1.53 H new ATOM 0 HD23 LEU A 70 15.266 -0.882 14.194 1.00 1.53 H new ATOM 1193 N PRO A 71 16.256 2.218 18.368 1.00 71.02 N ATOM 1194 CA PRO A 71 17.011 2.168 19.608 1.00 32.22 C ATOM 1195 C PRO A 71 18.245 1.276 19.463 1.00 24.22 C ATOM 1196 O PRO A 71 18.372 0.540 18.486 1.00 24.41 O ATOM 1197 CB PRO A 71 16.027 1.656 20.647 1.00 34.32 C ATOM 1198 CG PRO A 71 14.900 1.000 19.866 1.00 34.22 C ATOM 1199 CD PRO A 71 15.032 1.424 18.413 1.00 75.14 C ATOM 0 HA PRO A 71 17.407 3.141 19.899 1.00 32.22 H new ATOM 0 HB2 PRO A 71 16.504 0.942 21.318 1.00 34.32 H new ATOM 0 HB3 PRO A 71 15.651 2.472 21.264 1.00 34.32 H new ATOM 0 HG2 PRO A 71 14.956 -0.085 19.954 1.00 34.22 H new ATOM 0 HG3 PRO A 71 13.932 1.303 20.266 1.00 34.22 H new ATOM 0 HD2 PRO A 71 15.097 0.559 17.753 1.00 75.14 H new ATOM 0 HD3 PRO A 71 14.169 2.007 18.091 1.00 75.14 H new ATOM 1207 N PRO A 72 19.147 1.373 20.476 1.00 3.54 N ATOM 1208 CA PRO A 72 20.367 0.584 20.471 1.00 2.32 C ATOM 1209 C PRO A 72 20.077 -0.876 20.824 1.00 61.01 C ATOM 1210 O PRO A 72 20.990 -1.698 20.880 1.00 63.14 O ATOM 1211 CB PRO A 72 21.282 1.267 21.475 1.00 50.34 C ATOM 1212 CG PRO A 72 20.379 2.131 22.341 1.00 24.52 C ATOM 1213 CD PRO A 72 19.030 2.235 21.650 1.00 70.35 C ATOM 0 HA PRO A 72 20.837 0.542 19.488 1.00 2.32 H new ATOM 0 HB2 PRO A 72 21.817 0.533 22.078 1.00 50.34 H new ATOM 0 HB3 PRO A 72 22.034 1.873 20.969 1.00 50.34 H new ATOM 0 HG2 PRO A 72 20.267 1.692 23.332 1.00 24.52 H new ATOM 0 HG3 PRO A 72 20.815 3.121 22.478 1.00 24.52 H new ATOM 0 HD2 PRO A 72 18.223 1.905 22.305 1.00 70.35 H new ATOM 0 HD3 PRO A 72 18.809 3.264 21.365 1.00 70.35 H new ATOM 1221 N GLU A 73 18.802 -1.154 21.053 1.00 61.13 N ATOM 1222 CA GLU A 73 18.380 -2.501 21.398 1.00 1.13 C ATOM 1223 C GLU A 73 17.911 -3.247 20.148 1.00 74.41 C ATOM 1224 O GLU A 73 18.184 -4.436 19.991 1.00 24.20 O ATOM 1225 CB GLU A 73 17.284 -2.475 22.465 1.00 21.34 C ATOM 1226 CG GLU A 73 15.928 -2.124 21.850 1.00 31.42 C ATOM 1227 CD GLU A 73 14.854 -1.990 22.931 1.00 13.34 C ATOM 1228 OE1 GLU A 73 14.572 -2.960 23.650 1.00 71.44 O ATOM 1229 OE2 GLU A 73 14.305 -0.825 23.012 1.00 32.15 O ATOM 0 H GLU A 73 18.047 -0.469 21.006 1.00 61.13 H new ATOM 0 HA GLU A 73 19.235 -3.033 21.815 1.00 1.13 H new ATOM 0 HB2 GLU A 73 17.225 -3.447 22.954 1.00 21.34 H new ATOM 0 HB3 GLU A 73 17.538 -1.746 23.235 1.00 21.34 H new ATOM 0 HG2 GLU A 73 16.008 -1.190 21.294 1.00 31.42 H new ATOM 0 HG3 GLU A 73 15.637 -2.896 21.137 1.00 31.42 H new ATOM 1237 N LYS A 74 17.212 -2.519 19.290 1.00 14.42 N ATOM 1238 CA LYS A 74 16.702 -3.097 18.059 1.00 55.14 C ATOM 1239 C LYS A 74 17.875 -3.554 17.190 1.00 25.14 C ATOM 1240 O LYS A 74 19.034 -3.342 17.545 1.00 50.31 O ATOM 1241 CB LYS A 74 15.762 -2.116 17.355 1.00 12.20 C ATOM 1242 CG LYS A 74 14.350 -2.192 17.941 1.00 25.21 C ATOM 1243 CD LYS A 74 13.320 -1.621 16.965 1.00 72.40 C ATOM 1244 CE LYS A 74 12.062 -2.491 16.925 1.00 33.35 C ATOM 1245 NZ LYS A 74 11.202 -2.212 18.097 1.00 31.44 N ATOM 0 H LYS A 74 16.987 -1.533 19.423 1.00 14.42 H new ATOM 0 HA LYS A 74 16.101 -3.980 18.275 1.00 55.14 H new ATOM 0 HB2 LYS A 74 16.147 -1.101 17.456 1.00 12.20 H new ATOM 0 HB3 LYS A 74 15.729 -2.340 16.289 1.00 12.20 H new ATOM 0 HG2 LYS A 74 14.103 -3.229 18.171 1.00 25.21 H new ATOM 0 HG3 LYS A 74 14.312 -1.640 18.880 1.00 25.21 H new ATOM 0 HD2 LYS A 74 13.055 -0.606 17.262 1.00 72.40 H new ATOM 0 HD3 LYS A 74 13.755 -1.558 15.967 1.00 72.40 H new ATOM 0 HE2 LYS A 74 11.508 -2.298 16.006 1.00 33.35 H new ATOM 0 HE3 LYS A 74 12.341 -3.545 16.914 1.00 33.35 H new ATOM 0 HZ1 LYS A 74 10.353 -2.811 18.055 1.00 31.44 H new ATOM 0 HZ2 LYS A 74 11.728 -2.418 18.970 1.00 31.44 H new ATOM 0 HZ3 LYS A 74 10.921 -1.211 18.091 1.00 31.44 H new ATOM 1258 N ALA A 75 17.535 -4.174 16.070 1.00 41.42 N ATOM 1259 CA ALA A 75 18.547 -4.663 15.148 1.00 15.42 C ATOM 1260 C ALA A 75 17.932 -4.810 13.755 1.00 42.53 C ATOM 1261 O ALA A 75 17.154 -5.730 13.509 1.00 21.13 O ATOM 1262 CB ALA A 75 19.122 -5.979 15.673 1.00 21.34 C ATOM 0 H ALA A 75 16.573 -4.349 15.780 1.00 41.42 H new ATOM 0 HA ALA A 75 19.372 -3.954 15.071 1.00 15.42 H new ATOM 0 HB1 ALA A 75 19.881 -6.346 14.982 1.00 21.34 H new ATOM 0 HB2 ALA A 75 19.572 -5.815 16.652 1.00 21.34 H new ATOM 0 HB3 ALA A 75 18.324 -6.716 15.760 1.00 21.34 H new ATOM 1268 N ILE A 76 18.305 -3.888 12.878 1.00 32.25 N ATOM 1269 CA ILE A 76 17.800 -3.904 11.516 1.00 42.40 C ATOM 1270 C ILE A 76 18.877 -4.464 10.584 1.00 33.03 C ATOM 1271 O ILE A 76 20.069 -4.295 10.835 1.00 30.21 O ATOM 1272 CB ILE A 76 17.301 -2.514 11.114 1.00 63.33 C ATOM 1273 CG1 ILE A 76 16.165 -2.614 10.094 1.00 51.21 C ATOM 1274 CG2 ILE A 76 18.453 -1.644 10.606 1.00 73.12 C ATOM 1275 CD1 ILE A 76 15.602 -1.230 9.764 1.00 73.02 C ATOM 0 H ILE A 76 18.951 -3.126 13.085 1.00 32.25 H new ATOM 0 HA ILE A 76 16.936 -4.563 11.437 1.00 42.40 H new ATOM 0 HB ILE A 76 16.896 -2.026 12.001 1.00 63.33 H new ATOM 0 HG12 ILE A 76 16.530 -3.089 9.183 1.00 51.21 H new ATOM 0 HG13 ILE A 76 15.372 -3.249 10.489 1.00 51.21 H new ATOM 0 HG21 ILE A 76 18.072 -0.662 10.327 1.00 73.12 H new ATOM 0 HG22 ILE A 76 19.200 -1.533 11.392 1.00 73.12 H new ATOM 0 HG23 ILE A 76 18.910 -2.116 9.736 1.00 73.12 H new ATOM 0 HD11 ILE A 76 14.796 -1.329 9.037 1.00 73.02 H new ATOM 0 HD12 ILE A 76 15.216 -0.768 10.673 1.00 73.02 H new ATOM 0 HD13 ILE A 76 16.392 -0.606 9.347 1.00 73.02 H new ATOM 1287 N PHE A 77 18.417 -5.120 9.529 1.00 44.45 N ATOM 1288 CA PHE A 77 19.326 -5.706 8.558 1.00 2.11 C ATOM 1289 C PHE A 77 18.918 -5.335 7.131 1.00 44.31 C ATOM 1290 O PHE A 77 17.740 -5.112 6.856 1.00 23.50 O ATOM 1291 CB PHE A 77 19.237 -7.224 8.723 1.00 62.44 C ATOM 1292 CG PHE A 77 19.688 -7.729 10.095 1.00 60.11 C ATOM 1293 CD1 PHE A 77 18.791 -7.825 11.112 1.00 32.25 C ATOM 1294 CD2 PHE A 77 20.986 -8.081 10.297 1.00 31.51 C ATOM 1295 CE1 PHE A 77 19.209 -8.294 12.386 1.00 2.50 C ATOM 1296 CE2 PHE A 77 21.404 -8.550 11.571 1.00 43.33 C ATOM 1297 CZ PHE A 77 20.507 -8.646 12.588 1.00 1.13 C ATOM 0 H PHE A 77 17.427 -5.259 9.325 1.00 44.45 H new ATOM 0 HA PHE A 77 20.338 -5.337 8.725 1.00 2.11 H new ATOM 0 HB2 PHE A 77 18.207 -7.538 8.552 1.00 62.44 H new ATOM 0 HB3 PHE A 77 19.846 -7.699 7.954 1.00 62.44 H new ATOM 0 HD1 PHE A 77 17.760 -7.545 10.951 1.00 32.25 H new ATOM 0 HD2 PHE A 77 21.699 -8.004 9.489 1.00 31.51 H new ATOM 0 HE1 PHE A 77 18.496 -8.371 13.194 1.00 2.50 H new ATOM 0 HE2 PHE A 77 22.435 -8.830 11.732 1.00 43.33 H new ATOM 0 HZ PHE A 77 20.825 -9.002 13.557 1.00 1.13 H new ATOM 1307 N ILE A 78 19.916 -5.279 6.260 1.00 35.02 N ATOM 1308 CA ILE A 78 19.675 -4.939 4.868 1.00 4.52 C ATOM 1309 C ILE A 78 19.841 -6.191 4.005 1.00 33.25 C ATOM 1310 O ILE A 78 20.745 -6.993 4.235 1.00 1.41 O ATOM 1311 CB ILE A 78 20.570 -3.774 4.439 1.00 24.14 C ATOM 1312 CG1 ILE A 78 20.837 -2.827 5.611 1.00 14.31 C ATOM 1313 CG2 ILE A 78 19.978 -3.042 3.234 1.00 74.13 C ATOM 1314 CD1 ILE A 78 19.556 -2.105 6.034 1.00 13.23 C ATOM 0 H ILE A 78 20.892 -5.463 6.492 1.00 35.02 H new ATOM 0 HA ILE A 78 18.651 -4.592 4.733 1.00 4.52 H new ATOM 0 HB ILE A 78 21.532 -4.180 4.127 1.00 24.14 H new ATOM 0 HG12 ILE A 78 21.237 -3.390 6.454 1.00 14.31 H new ATOM 0 HG13 ILE A 78 21.594 -2.096 5.328 1.00 14.31 H new ATOM 0 HG21 ILE A 78 20.634 -2.219 2.950 1.00 74.13 H new ATOM 0 HG22 ILE A 78 19.883 -3.735 2.398 1.00 74.13 H new ATOM 0 HG23 ILE A 78 18.995 -2.649 3.494 1.00 74.13 H new ATOM 0 HD11 ILE A 78 19.773 -1.438 6.868 1.00 13.23 H new ATOM 0 HD12 ILE A 78 19.172 -1.524 5.195 1.00 13.23 H new ATOM 0 HD13 ILE A 78 18.809 -2.838 6.340 1.00 13.23 H new ATOM 1326 N PHE A 79 18.953 -6.321 3.031 1.00 52.13 N ATOM 1327 CA PHE A 79 18.989 -7.462 2.132 1.00 32.54 C ATOM 1328 C PHE A 79 18.880 -7.016 0.673 1.00 11.42 C ATOM 1329 O PHE A 79 17.936 -6.319 0.302 1.00 24.13 O ATOM 1330 CB PHE A 79 17.784 -8.340 2.476 1.00 74.10 C ATOM 1331 CG PHE A 79 17.655 -8.664 3.966 1.00 74.53 C ATOM 1332 CD1 PHE A 79 17.364 -7.677 4.854 1.00 15.40 C ATOM 1333 CD2 PHE A 79 17.831 -9.941 4.401 1.00 11.45 C ATOM 1334 CE1 PHE A 79 17.244 -7.978 6.236 1.00 12.35 C ATOM 1335 CE2 PHE A 79 17.711 -10.242 5.784 1.00 3.30 C ATOM 1336 CZ PHE A 79 17.420 -9.254 6.672 1.00 3.24 C ATOM 0 H PHE A 79 18.204 -5.655 2.844 1.00 52.13 H new ATOM 0 HA PHE A 79 19.931 -7.998 2.250 1.00 32.54 H new ATOM 0 HB2 PHE A 79 16.875 -7.838 2.144 1.00 74.10 H new ATOM 0 HB3 PHE A 79 17.856 -9.273 1.917 1.00 74.10 H new ATOM 0 HD1 PHE A 79 17.224 -6.664 4.508 1.00 15.40 H new ATOM 0 HD2 PHE A 79 18.062 -10.725 3.695 1.00 11.45 H new ATOM 0 HE1 PHE A 79 17.013 -7.193 6.941 1.00 12.35 H new ATOM 0 HE2 PHE A 79 17.851 -11.255 6.130 1.00 3.30 H new ATOM 0 HZ PHE A 79 17.329 -9.483 7.724 1.00 3.24 H new ATOM 1346 N VAL A 80 19.859 -7.435 -0.115 1.00 52.33 N ATOM 1347 CA VAL A 80 19.885 -7.086 -1.526 1.00 32.43 C ATOM 1348 C VAL A 80 19.511 -8.315 -2.357 1.00 65.41 C ATOM 1349 O VAL A 80 20.045 -9.402 -2.140 1.00 4.14 O ATOM 1350 CB VAL A 80 21.251 -6.506 -1.896 1.00 63.54 C ATOM 1351 CG1 VAL A 80 22.248 -7.619 -2.226 1.00 21.53 C ATOM 1352 CG2 VAL A 80 21.130 -5.517 -3.057 1.00 65.34 C ATOM 0 H VAL A 80 20.640 -8.013 0.196 1.00 52.33 H new ATOM 0 HA VAL A 80 19.149 -6.311 -1.742 1.00 32.43 H new ATOM 0 HB VAL A 80 21.630 -5.962 -1.031 1.00 63.54 H new ATOM 0 HG11 VAL A 80 23.211 -7.180 -2.486 1.00 21.53 H new ATOM 0 HG12 VAL A 80 22.368 -8.269 -1.359 1.00 21.53 H new ATOM 0 HG13 VAL A 80 21.876 -8.202 -3.068 1.00 21.53 H new ATOM 0 HG21 VAL A 80 22.115 -5.119 -3.300 1.00 65.34 H new ATOM 0 HG22 VAL A 80 20.719 -6.027 -3.928 1.00 65.34 H new ATOM 0 HG23 VAL A 80 20.469 -4.699 -2.771 1.00 65.34 H new ATOM 1362 N ASN A 81 18.597 -8.102 -3.292 1.00 62.20 N ATOM 1363 CA ASN A 81 18.146 -9.179 -4.157 1.00 62.10 C ATOM 1364 C ASN A 81 17.869 -10.424 -3.312 1.00 62.20 C ATOM 1365 O ASN A 81 18.518 -11.455 -3.487 1.00 52.52 O ATOM 1366 CB ASN A 81 19.214 -9.538 -5.192 1.00 22.20 C ATOM 1367 CG ASN A 81 19.321 -8.455 -6.268 1.00 23.43 C ATOM 1368 OD1 ASN A 81 19.486 -7.227 -5.785 1.00 13.34 O flip ATOM 1369 ND2 ASN A 81 19.259 -8.718 -7.458 1.00 30.45 N flip ATOM 0 H ASN A 81 18.156 -7.199 -3.470 1.00 62.20 H new ATOM 0 HA ASN A 81 17.245 -8.844 -4.670 1.00 62.10 H new ATOM 0 HB2 ASN A 81 20.178 -9.661 -4.698 1.00 22.20 H new ATOM 0 HB3 ASN A 81 18.969 -10.494 -5.656 1.00 22.20 H new ATOM 0 HD21 ASN A 81 19.131 -9.684 -7.761 1.00 30.45 H new ATOM 0 HD22 ASN A 81 19.335 -7.972 -8.150 1.00 30.45 H new ATOM 1376 N ASP A 82 16.905 -10.288 -2.414 1.00 10.04 N ATOM 1377 CA ASP A 82 16.534 -11.389 -1.541 1.00 22.00 C ATOM 1378 C ASP A 82 17.801 -12.086 -1.041 1.00 32.43 C ATOM 1379 O ASP A 82 17.876 -13.314 -1.033 1.00 71.10 O ATOM 1380 CB ASP A 82 15.689 -12.423 -2.288 1.00 12.25 C ATOM 1381 CG ASP A 82 14.464 -11.857 -3.009 1.00 32.11 C ATOM 1382 OD1 ASP A 82 13.994 -12.421 -4.008 1.00 62.23 O ATOM 1383 OD2 ASP A 82 13.981 -10.775 -2.498 1.00 25.43 O ATOM 0 H ASP A 82 16.369 -9.432 -2.272 1.00 10.04 H new ATOM 0 HA ASP A 82 15.956 -10.982 -0.711 1.00 22.00 H new ATOM 0 HB2 ASP A 82 16.321 -12.927 -3.019 1.00 12.25 H new ATOM 0 HB3 ASP A 82 15.356 -13.180 -1.578 1.00 12.25 H new ATOM 1389 N THR A 83 18.765 -11.273 -0.635 1.00 73.01 N ATOM 1390 CA THR A 83 20.024 -11.797 -0.134 1.00 44.54 C ATOM 1391 C THR A 83 20.558 -10.913 0.995 1.00 33.01 C ATOM 1392 O THR A 83 19.880 -9.986 1.436 1.00 50.14 O ATOM 1393 CB THR A 83 20.988 -11.920 -1.316 1.00 42.12 C ATOM 1394 OG1 THR A 83 21.647 -13.164 -1.098 1.00 64.21 O ATOM 1395 CG2 THR A 83 22.115 -10.887 -1.263 1.00 5.32 C ATOM 0 H THR A 83 18.699 -10.255 -0.643 1.00 73.01 H new ATOM 0 HA THR A 83 19.894 -12.787 0.304 1.00 44.54 H new ATOM 0 HB THR A 83 20.435 -11.806 -2.248 1.00 42.12 H new ATOM 0 HG1 THR A 83 22.290 -13.325 -1.820 1.00 64.21 H new ATOM 0 HG21 THR A 83 22.770 -11.018 -2.124 1.00 5.32 H new ATOM 0 HG22 THR A 83 21.690 -9.883 -1.280 1.00 5.32 H new ATOM 0 HG23 THR A 83 22.689 -11.022 -0.347 1.00 5.32 H new ATOM 1403 N LEU A 84 21.767 -11.232 1.431 1.00 4.34 N ATOM 1404 CA LEU A 84 22.400 -10.478 2.501 1.00 33.51 C ATOM 1405 C LEU A 84 23.915 -10.476 2.291 1.00 41.14 C ATOM 1406 O LEU A 84 24.598 -11.430 2.658 1.00 22.34 O ATOM 1407 CB LEU A 84 21.969 -11.021 3.865 1.00 23.24 C ATOM 1408 CG LEU A 84 22.044 -10.035 5.033 1.00 33.42 C ATOM 1409 CD1 LEU A 84 20.682 -9.386 5.290 1.00 24.44 C ATOM 1410 CD2 LEU A 84 22.602 -10.712 6.287 1.00 43.32 C ATOM 0 H LEU A 84 22.326 -12.002 1.063 1.00 4.34 H new ATOM 0 HA LEU A 84 22.074 -9.438 2.479 1.00 33.51 H new ATOM 0 HB2 LEU A 84 20.943 -11.380 3.783 1.00 23.24 H new ATOM 0 HB3 LEU A 84 22.591 -11.884 4.103 1.00 23.24 H new ATOM 0 HG LEU A 84 22.736 -9.237 4.763 1.00 33.42 H new ATOM 0 HD11 LEU A 84 20.762 -8.690 6.125 1.00 24.44 H new ATOM 0 HD12 LEU A 84 20.361 -8.848 4.398 1.00 24.44 H new ATOM 0 HD13 LEU A 84 19.951 -10.158 5.530 1.00 24.44 H new ATOM 0 HD21 LEU A 84 22.645 -9.990 7.102 1.00 43.32 H new ATOM 0 HD22 LEU A 84 21.955 -11.542 6.571 1.00 43.32 H new ATOM 0 HD23 LEU A 84 23.604 -11.088 6.082 1.00 43.32 H new ATOM 1422 N PRO A 85 24.409 -9.364 1.684 1.00 41.53 N ATOM 1423 CA PRO A 85 25.831 -9.224 1.420 1.00 61.03 C ATOM 1424 C PRO A 85 26.599 -8.906 2.705 1.00 73.25 C ATOM 1425 O PRO A 85 25.995 -8.667 3.749 1.00 4.23 O ATOM 1426 CB PRO A 85 25.932 -8.121 0.379 1.00 13.42 C ATOM 1427 CG PRO A 85 24.613 -7.367 0.441 1.00 32.55 C ATOM 1428 CD PRO A 85 23.630 -8.213 1.234 1.00 30.44 C ATOM 0 HA PRO A 85 26.282 -10.145 1.050 1.00 61.03 H new ATOM 0 HB2 PRO A 85 26.771 -7.459 0.592 1.00 13.42 H new ATOM 0 HB3 PRO A 85 26.098 -8.536 -0.615 1.00 13.42 H new ATOM 0 HG2 PRO A 85 24.750 -6.396 0.916 1.00 32.55 H new ATOM 0 HG3 PRO A 85 24.232 -7.180 -0.563 1.00 32.55 H new ATOM 0 HD2 PRO A 85 23.221 -7.658 2.078 1.00 30.44 H new ATOM 0 HD3 PRO A 85 22.787 -8.523 0.617 1.00 30.44 H new ATOM 1436 N PRO A 86 27.953 -8.914 2.582 1.00 61.23 N ATOM 1437 CA PRO A 86 28.810 -8.630 3.720 1.00 14.44 C ATOM 1438 C PRO A 86 28.813 -7.134 4.044 1.00 61.14 C ATOM 1439 O PRO A 86 28.408 -6.316 3.219 1.00 32.22 O ATOM 1440 CB PRO A 86 30.180 -9.155 3.323 1.00 15.23 C ATOM 1441 CG PRO A 86 30.151 -9.291 1.810 1.00 40.04 C ATOM 1442 CD PRO A 86 28.702 -9.193 1.360 1.00 23.41 C ATOM 0 HA PRO A 86 28.465 -9.110 4.636 1.00 14.44 H new ATOM 0 HB2 PRO A 86 30.967 -8.470 3.639 1.00 15.23 H new ATOM 0 HB3 PRO A 86 30.383 -10.115 3.798 1.00 15.23 H new ATOM 0 HG2 PRO A 86 30.749 -8.507 1.345 1.00 40.04 H new ATOM 0 HG3 PRO A 86 30.582 -10.244 1.504 1.00 40.04 H new ATOM 0 HD2 PRO A 86 28.569 -8.400 0.624 1.00 23.41 H new ATOM 0 HD3 PRO A 86 28.368 -10.120 0.894 1.00 23.41 H new ATOM 1450 N THR A 87 29.275 -6.822 5.245 1.00 24.14 N ATOM 1451 CA THR A 87 29.337 -5.439 5.688 1.00 63.42 C ATOM 1452 C THR A 87 30.565 -4.745 5.096 1.00 51.54 C ATOM 1453 O THR A 87 30.740 -3.538 5.261 1.00 30.30 O ATOM 1454 CB THR A 87 29.313 -5.431 7.218 1.00 41.15 C ATOM 1455 OG1 THR A 87 29.680 -4.098 7.563 1.00 15.01 O ATOM 1456 CG2 THR A 87 30.422 -6.292 7.826 1.00 42.24 C ATOM 0 H THR A 87 29.610 -7.503 5.926 1.00 24.14 H new ATOM 0 HA THR A 87 28.478 -4.870 5.332 1.00 63.42 H new ATOM 0 HB THR A 87 28.344 -5.788 7.568 1.00 41.15 H new ATOM 0 HG1 THR A 87 29.836 -3.580 6.746 1.00 15.01 H new ATOM 0 HG21 THR A 87 30.359 -6.251 8.913 1.00 42.24 H new ATOM 0 HG22 THR A 87 30.305 -7.324 7.494 1.00 42.24 H new ATOM 0 HG23 THR A 87 31.393 -5.915 7.504 1.00 42.24 H new ATOM 1464 N ALA A 88 31.383 -5.536 4.418 1.00 44.43 N ATOM 1465 CA ALA A 88 32.590 -5.012 3.800 1.00 53.40 C ATOM 1466 C ALA A 88 32.300 -4.666 2.338 1.00 50.01 C ATOM 1467 O ALA A 88 32.894 -3.741 1.786 1.00 55.04 O ATOM 1468 CB ALA A 88 33.722 -6.031 3.945 1.00 53.40 C ATOM 0 H ALA A 88 31.234 -6.536 4.283 1.00 44.43 H new ATOM 0 HA ALA A 88 32.910 -4.097 4.298 1.00 53.40 H new ATOM 0 HB1 ALA A 88 34.627 -5.638 3.482 1.00 53.40 H new ATOM 0 HB2 ALA A 88 33.908 -6.220 5.002 1.00 53.40 H new ATOM 0 HB3 ALA A 88 33.438 -6.962 3.455 1.00 53.40 H new ATOM 1474 N ALA A 89 31.388 -5.428 1.753 1.00 55.23 N ATOM 1475 CA ALA A 89 31.012 -5.214 0.365 1.00 11.25 C ATOM 1476 C ALA A 89 30.896 -3.712 0.099 1.00 15.30 C ATOM 1477 O ALA A 89 30.388 -2.967 0.936 1.00 55.33 O ATOM 1478 CB ALA A 89 29.711 -5.961 0.068 1.00 74.33 C ATOM 0 H ALA A 89 30.898 -6.195 2.214 1.00 55.23 H new ATOM 0 HA ALA A 89 31.775 -5.610 -0.305 1.00 11.25 H new ATOM 0 HB1 ALA A 89 29.429 -5.801 -0.973 1.00 74.33 H new ATOM 0 HB2 ALA A 89 29.855 -7.027 0.245 1.00 74.33 H new ATOM 0 HB3 ALA A 89 28.921 -5.589 0.720 1.00 74.33 H new ATOM 1484 N LEU A 90 31.375 -3.312 -1.070 1.00 12.55 N ATOM 1485 CA LEU A 90 31.331 -1.912 -1.457 1.00 11.33 C ATOM 1486 C LEU A 90 30.013 -1.628 -2.181 1.00 65.53 C ATOM 1487 O LEU A 90 29.621 -2.375 -3.077 1.00 15.43 O ATOM 1488 CB LEU A 90 32.572 -1.542 -2.271 1.00 4.22 C ATOM 1489 CG LEU A 90 33.163 -0.156 -2.001 1.00 70.33 C ATOM 1490 CD1 LEU A 90 33.554 -0.004 -0.530 1.00 40.31 C ATOM 1491 CD2 LEU A 90 34.337 0.131 -2.939 1.00 40.23 C ATOM 0 H LEU A 90 31.795 -3.933 -1.762 1.00 12.55 H new ATOM 0 HA LEU A 90 31.354 -1.272 -0.575 1.00 11.33 H new ATOM 0 HB2 LEU A 90 33.344 -2.288 -2.079 1.00 4.22 H new ATOM 0 HB3 LEU A 90 32.321 -1.608 -3.330 1.00 4.22 H new ATOM 0 HG LEU A 90 32.395 0.589 -2.208 1.00 70.33 H new ATOM 0 HD11 LEU A 90 33.971 0.989 -0.365 1.00 40.31 H new ATOM 0 HD12 LEU A 90 32.672 -0.136 0.096 1.00 40.31 H new ATOM 0 HD13 LEU A 90 34.298 -0.757 -0.272 1.00 40.31 H new ATOM 0 HD21 LEU A 90 34.739 1.122 -2.726 1.00 40.23 H new ATOM 0 HD22 LEU A 90 35.115 -0.617 -2.787 1.00 40.23 H new ATOM 0 HD23 LEU A 90 33.994 0.093 -3.973 1.00 40.23 H new ATOM 1503 N MET A 91 29.368 -0.548 -1.767 1.00 35.51 N ATOM 1504 CA MET A 91 28.102 -0.157 -2.365 1.00 64.53 C ATOM 1505 C MET A 91 28.271 0.146 -3.856 1.00 22.45 C ATOM 1506 O MET A 91 27.290 0.211 -4.594 1.00 51.03 O ATOM 1507 CB MET A 91 27.561 1.082 -1.650 1.00 72.13 C ATOM 1508 CG MET A 91 27.441 0.838 -0.145 1.00 24.25 C ATOM 1509 SD MET A 91 26.467 -0.626 0.161 1.00 13.02 S ATOM 1510 CE MET A 91 24.868 -0.054 -0.388 1.00 15.33 C ATOM 0 H MET A 91 29.698 0.069 -1.025 1.00 35.51 H new ATOM 0 HA MET A 91 27.400 -0.984 -2.259 1.00 64.53 H new ATOM 0 HB2 MET A 91 28.222 1.929 -1.833 1.00 72.13 H new ATOM 0 HB3 MET A 91 26.585 1.345 -2.058 1.00 72.13 H new ATOM 0 HG2 MET A 91 28.432 0.723 0.293 1.00 24.25 H new ATOM 0 HG3 MET A 91 26.978 1.700 0.336 1.00 24.25 H new ATOM 0 HE1 MET A 91 24.086 -0.561 0.178 1.00 15.33 H new ATOM 0 HE2 MET A 91 24.792 1.022 -0.229 1.00 15.33 H new ATOM 0 HE3 MET A 91 24.748 -0.273 -1.449 1.00 15.33 H new ATOM 1520 N SER A 92 29.523 0.323 -4.253 1.00 33.53 N ATOM 1521 CA SER A 92 29.833 0.617 -5.641 1.00 53.14 C ATOM 1522 C SER A 92 29.944 -0.683 -6.440 1.00 21.31 C ATOM 1523 O SER A 92 29.492 -0.756 -7.581 1.00 54.24 O ATOM 1524 CB SER A 92 31.127 1.424 -5.758 1.00 24.14 C ATOM 1525 OG SER A 92 32.274 0.643 -5.431 1.00 50.23 O ATOM 0 H SER A 92 30.334 0.268 -3.637 1.00 33.53 H new ATOM 0 HA SER A 92 29.023 1.220 -6.051 1.00 53.14 H new ATOM 0 HB2 SER A 92 31.226 1.806 -6.774 1.00 24.14 H new ATOM 0 HB3 SER A 92 31.076 2.289 -5.096 1.00 24.14 H new ATOM 0 HG SER A 92 33.086 1.137 -5.670 1.00 50.23 H new ATOM 1531 N ALA A 93 30.549 -1.678 -5.808 1.00 22.21 N ATOM 1532 CA ALA A 93 30.726 -2.972 -6.445 1.00 71.11 C ATOM 1533 C ALA A 93 29.388 -3.713 -6.464 1.00 74.41 C ATOM 1534 O ALA A 93 29.084 -4.429 -7.417 1.00 53.24 O ATOM 1535 CB ALA A 93 31.817 -3.757 -5.713 1.00 53.25 C ATOM 0 H ALA A 93 30.923 -1.614 -4.861 1.00 22.21 H new ATOM 0 HA ALA A 93 31.050 -2.850 -7.478 1.00 71.11 H new ATOM 0 HB1 ALA A 93 31.950 -4.728 -6.191 1.00 53.25 H new ATOM 0 HB2 ALA A 93 32.754 -3.202 -5.753 1.00 53.25 H new ATOM 0 HB3 ALA A 93 31.525 -3.902 -4.673 1.00 53.25 H new ATOM 1541 N ILE A 94 28.623 -3.517 -5.400 1.00 4.22 N ATOM 1542 CA ILE A 94 27.325 -4.158 -5.282 1.00 53.33 C ATOM 1543 C ILE A 94 26.369 -3.556 -6.314 1.00 73.34 C ATOM 1544 O ILE A 94 25.871 -4.262 -7.190 1.00 34.31 O ATOM 1545 CB ILE A 94 26.812 -4.069 -3.844 1.00 14.24 C ATOM 1546 CG1 ILE A 94 27.651 -4.941 -2.907 1.00 52.53 C ATOM 1547 CG2 ILE A 94 25.323 -4.416 -3.770 1.00 23.31 C ATOM 1548 CD1 ILE A 94 27.347 -6.425 -3.121 1.00 12.23 C ATOM 0 H ILE A 94 28.878 -2.923 -4.611 1.00 4.22 H new ATOM 0 HA ILE A 94 27.404 -5.223 -5.502 1.00 53.33 H new ATOM 0 HB ILE A 94 26.920 -3.038 -3.507 1.00 14.24 H new ATOM 0 HG12 ILE A 94 28.711 -4.754 -3.082 1.00 52.53 H new ATOM 0 HG13 ILE A 94 27.446 -4.670 -1.871 1.00 52.53 H new ATOM 0 HG21 ILE A 94 24.984 -4.345 -2.737 1.00 23.31 H new ATOM 0 HG22 ILE A 94 24.756 -3.719 -4.387 1.00 23.31 H new ATOM 0 HG23 ILE A 94 25.168 -5.432 -4.134 1.00 23.31 H new ATOM 0 HD11 ILE A 94 27.956 -7.023 -2.443 1.00 12.23 H new ATOM 0 HD12 ILE A 94 26.292 -6.613 -2.922 1.00 12.23 H new ATOM 0 HD13 ILE A 94 27.576 -6.698 -4.151 1.00 12.23 H new ATOM 1560 N TYR A 95 26.141 -2.258 -6.177 1.00 63.35 N ATOM 1561 CA TYR A 95 25.254 -1.554 -7.087 1.00 51.12 C ATOM 1562 C TYR A 95 25.702 -1.733 -8.539 1.00 43.01 C ATOM 1563 O TYR A 95 24.898 -1.607 -9.461 1.00 52.10 O ATOM 1564 CB TYR A 95 25.355 -0.074 -6.714 1.00 3.34 C ATOM 1565 CG TYR A 95 24.704 0.870 -7.727 1.00 25.21 C ATOM 1566 CD1 TYR A 95 25.275 1.046 -8.971 1.00 71.14 C ATOM 1567 CD2 TYR A 95 23.547 1.545 -7.397 1.00 0.03 C ATOM 1568 CE1 TYR A 95 24.662 1.934 -9.925 1.00 63.11 C ATOM 1569 CE2 TYR A 95 22.934 2.433 -8.350 1.00 44.14 C ATOM 1570 CZ TYR A 95 23.522 2.584 -9.568 1.00 23.34 C ATOM 1571 OH TYR A 95 22.944 3.422 -10.468 1.00 53.44 O ATOM 0 H TYR A 95 26.555 -1.676 -5.449 1.00 63.35 H new ATOM 0 HA TYR A 95 24.237 -1.938 -7.004 1.00 51.12 H new ATOM 0 HB2 TYR A 95 24.889 0.077 -5.740 1.00 3.34 H new ATOM 0 HB3 TYR A 95 26.407 0.192 -6.609 1.00 3.34 H new ATOM 0 HD1 TYR A 95 26.181 0.518 -9.229 1.00 71.14 H new ATOM 0 HD2 TYR A 95 23.101 1.407 -6.423 1.00 0.03 H new ATOM 0 HE1 TYR A 95 25.098 2.080 -10.902 1.00 63.11 H new ATOM 0 HE2 TYR A 95 22.028 2.967 -8.104 1.00 44.14 H new ATOM 0 HH TYR A 95 22.074 3.062 -10.738 1.00 53.44 H new ATOM 1581 N GLN A 96 26.985 -2.024 -8.697 1.00 61.20 N ATOM 1582 CA GLN A 96 27.550 -2.222 -10.021 1.00 41.01 C ATOM 1583 C GLN A 96 26.954 -3.472 -10.671 1.00 64.41 C ATOM 1584 O GLN A 96 26.642 -3.469 -11.861 1.00 3.01 O ATOM 1585 CB GLN A 96 29.076 -2.311 -9.958 1.00 42.22 C ATOM 1586 CG GLN A 96 29.720 -0.984 -10.365 1.00 51.22 C ATOM 1587 CD GLN A 96 31.136 -0.865 -9.799 1.00 23.13 C ATOM 1588 OE1 GLN A 96 31.877 -1.829 -9.704 1.00 25.55 O ATOM 1589 NE2 GLN A 96 31.469 0.368 -9.429 1.00 45.31 N ATOM 0 H GLN A 96 27.649 -2.127 -7.930 1.00 61.20 H new ATOM 0 HA GLN A 96 27.294 -1.360 -10.637 1.00 41.01 H new ATOM 0 HB2 GLN A 96 29.387 -2.575 -8.947 1.00 42.22 H new ATOM 0 HB3 GLN A 96 29.425 -3.106 -10.617 1.00 42.22 H new ATOM 0 HG2 GLN A 96 29.752 -0.909 -11.452 1.00 51.22 H new ATOM 0 HG3 GLN A 96 29.110 -0.155 -10.006 1.00 51.22 H new ATOM 0 HE21 GLN A 96 30.800 1.131 -9.536 1.00 45.31 H new ATOM 0 HE22 GLN A 96 32.393 0.551 -9.038 1.00 45.31 H new ATOM 1598 N GLU A 97 26.815 -4.512 -9.862 1.00 14.25 N ATOM 1599 CA GLU A 97 26.262 -5.766 -10.343 1.00 72.40 C ATOM 1600 C GLU A 97 24.814 -5.923 -9.874 1.00 21.42 C ATOM 1601 O GLU A 97 24.141 -6.886 -10.238 1.00 32.21 O ATOM 1602 CB GLU A 97 27.117 -6.952 -9.890 1.00 54.22 C ATOM 1603 CG GLU A 97 28.449 -6.986 -10.642 1.00 32.11 C ATOM 1604 CD GLU A 97 28.361 -7.891 -11.872 1.00 71.33 C ATOM 1605 OE1 GLU A 97 29.128 -8.859 -11.986 1.00 41.33 O ATOM 1606 OE2 GLU A 97 27.455 -7.561 -12.729 1.00 13.41 O ATOM 0 H GLU A 97 27.076 -4.512 -8.876 1.00 14.25 H new ATOM 0 HA GLU A 97 26.270 -5.750 -11.433 1.00 72.40 H new ATOM 0 HB2 GLU A 97 27.302 -6.883 -8.818 1.00 54.22 H new ATOM 0 HB3 GLU A 97 26.575 -7.882 -10.061 1.00 54.22 H new ATOM 0 HG2 GLU A 97 28.724 -5.977 -10.948 1.00 32.11 H new ATOM 0 HG3 GLU A 97 29.236 -7.344 -9.978 1.00 32.11 H new ATOM 1614 N HIS A 98 24.378 -4.963 -9.073 1.00 12.44 N ATOM 1615 CA HIS A 98 23.022 -4.982 -8.550 1.00 22.13 C ATOM 1616 C HIS A 98 22.193 -3.892 -9.232 1.00 5.44 C ATOM 1617 O HIS A 98 20.970 -3.864 -9.103 1.00 25.43 O ATOM 1618 CB HIS A 98 23.026 -4.858 -7.025 1.00 3.51 C ATOM 1619 CG HIS A 98 23.398 -6.132 -6.306 1.00 30.25 C ATOM 1620 ND1 HIS A 98 22.456 -6.991 -5.766 1.00 51.32 N ATOM 1621 CD2 HIS A 98 24.617 -6.685 -6.044 1.00 2.34 C ATOM 1622 CE1 HIS A 98 23.091 -8.010 -5.207 1.00 32.05 C ATOM 1623 NE2 HIS A 98 24.430 -7.818 -5.379 1.00 62.30 N ATOM 0 H HIS A 98 24.940 -4.166 -8.773 1.00 12.44 H new ATOM 0 HA HIS A 98 22.554 -5.940 -8.777 1.00 22.13 H new ATOM 0 HB2 HIS A 98 23.725 -4.073 -6.736 1.00 3.51 H new ATOM 0 HB3 HIS A 98 22.037 -4.542 -6.694 1.00 3.51 H new ATOM 0 HD1 HIS A 98 21.445 -6.861 -5.794 1.00 51.32 H new ATOM 0 HD2 HIS A 98 25.573 -6.271 -6.329 1.00 2.34 H new ATOM 0 HE1 HIS A 98 22.629 -8.846 -4.703 1.00 32.05 H new ATOM 1631 N LYS A 99 22.893 -3.019 -9.942 1.00 72.23 N ATOM 1632 CA LYS A 99 22.237 -1.929 -10.645 1.00 21.32 C ATOM 1633 C LYS A 99 21.047 -2.479 -11.433 1.00 73.31 C ATOM 1634 O LYS A 99 21.111 -3.584 -11.971 1.00 13.32 O ATOM 1635 CB LYS A 99 23.244 -1.164 -11.506 1.00 21.03 C ATOM 1636 CG LYS A 99 22.552 -0.493 -12.694 1.00 33.31 C ATOM 1637 CD LYS A 99 22.541 -1.416 -13.915 1.00 4.34 C ATOM 1638 CE LYS A 99 23.957 -1.877 -14.265 1.00 44.11 C ATOM 1639 NZ LYS A 99 24.066 -2.162 -15.713 1.00 71.14 N ATOM 0 H LYS A 99 23.907 -3.044 -10.046 1.00 72.23 H new ATOM 0 HA LYS A 99 21.841 -1.202 -9.936 1.00 21.32 H new ATOM 0 HB2 LYS A 99 23.747 -0.410 -10.900 1.00 21.03 H new ATOM 0 HB3 LYS A 99 24.013 -1.848 -11.867 1.00 21.03 H new ATOM 0 HG2 LYS A 99 21.529 -0.230 -12.423 1.00 33.31 H new ATOM 0 HG3 LYS A 99 23.065 0.436 -12.941 1.00 33.31 H new ATOM 0 HD2 LYS A 99 21.911 -2.283 -13.715 1.00 4.34 H new ATOM 0 HD3 LYS A 99 22.104 -0.894 -14.766 1.00 4.34 H new ATOM 0 HE2 LYS A 99 24.676 -1.107 -13.985 1.00 44.11 H new ATOM 0 HE3 LYS A 99 24.207 -2.770 -13.693 1.00 44.11 H new ATOM 0 HZ1 LYS A 99 25.033 -2.474 -15.934 1.00 71.14 H new ATOM 0 HZ2 LYS A 99 23.393 -2.912 -15.971 1.00 71.14 H new ATOM 0 HZ3 LYS A 99 23.848 -1.301 -16.254 1.00 71.14 H new ATOM 1652 N ASP A 100 19.988 -1.684 -11.477 1.00 3.43 N ATOM 1653 CA ASP A 100 18.785 -2.077 -12.190 1.00 42.03 C ATOM 1654 C ASP A 100 18.837 -1.519 -13.614 1.00 74.20 C ATOM 1655 O ASP A 100 19.800 -0.852 -13.989 1.00 34.02 O ATOM 1656 CB ASP A 100 17.534 -1.520 -11.509 1.00 52.31 C ATOM 1657 CG ASP A 100 16.270 -2.363 -11.688 1.00 21.51 C ATOM 1658 OD1 ASP A 100 16.292 -3.591 -11.514 1.00 11.01 O ATOM 1659 OD2 ASP A 100 15.216 -1.701 -12.025 1.00 74.32 O ATOM 0 H ASP A 100 19.938 -0.769 -11.030 1.00 3.43 H new ATOM 0 HA ASP A 100 18.737 -3.166 -12.196 1.00 42.03 H new ATOM 0 HB2 ASP A 100 17.735 -1.416 -10.443 1.00 52.31 H new ATOM 0 HB3 ASP A 100 17.343 -0.519 -11.896 1.00 52.31 H new ATOM 1665 N LYS A 101 17.788 -1.813 -14.369 1.00 30.13 N ATOM 1666 CA LYS A 101 17.701 -1.349 -15.743 1.00 65.30 C ATOM 1667 C LYS A 101 17.374 0.145 -15.753 1.00 10.23 C ATOM 1668 O LYS A 101 17.739 0.858 -16.686 1.00 2.30 O ATOM 1669 CB LYS A 101 16.708 -2.202 -16.535 1.00 13.24 C ATOM 1670 CG LYS A 101 17.064 -3.687 -16.443 1.00 45.10 C ATOM 1671 CD LYS A 101 16.529 -4.455 -17.653 1.00 32.11 C ATOM 1672 CE LYS A 101 16.905 -5.936 -17.572 1.00 51.15 C ATOM 1673 NZ LYS A 101 16.354 -6.674 -18.731 1.00 30.21 N ATOM 0 H LYS A 101 16.991 -2.367 -14.055 1.00 30.13 H new ATOM 0 HA LYS A 101 18.660 -1.468 -16.247 1.00 65.30 H new ATOM 0 HB2 LYS A 101 15.700 -2.042 -16.153 1.00 13.24 H new ATOM 0 HB3 LYS A 101 16.706 -1.889 -17.579 1.00 13.24 H new ATOM 0 HG2 LYS A 101 18.146 -3.802 -16.384 1.00 45.10 H new ATOM 0 HG3 LYS A 101 16.648 -4.108 -15.528 1.00 45.10 H new ATOM 0 HD2 LYS A 101 15.445 -4.353 -17.702 1.00 32.11 H new ATOM 0 HD3 LYS A 101 16.932 -4.023 -18.569 1.00 32.11 H new ATOM 0 HE2 LYS A 101 17.990 -6.041 -17.548 1.00 51.15 H new ATOM 0 HE3 LYS A 101 16.523 -6.364 -16.645 1.00 51.15 H new ATOM 0 HZ1 LYS A 101 16.618 -7.677 -18.661 1.00 30.21 H new ATOM 0 HZ2 LYS A 101 15.318 -6.588 -18.736 1.00 30.21 H new ATOM 0 HZ3 LYS A 101 16.739 -6.275 -19.611 1.00 30.21 H new ATOM 1686 N ASP A 102 16.689 0.575 -14.703 1.00 51.13 N ATOM 1687 CA ASP A 102 16.308 1.972 -14.579 1.00 60.22 C ATOM 1688 C ASP A 102 17.515 2.785 -14.107 1.00 32.14 C ATOM 1689 O ASP A 102 17.624 3.972 -14.408 1.00 44.32 O ATOM 1690 CB ASP A 102 15.188 2.148 -13.552 1.00 52.13 C ATOM 1691 CG ASP A 102 15.651 2.216 -12.096 1.00 34.35 C ATOM 1692 OD1 ASP A 102 15.771 1.186 -11.415 1.00 55.01 O ATOM 1693 OD2 ASP A 102 15.896 3.403 -11.656 1.00 41.41 O ATOM 0 H ASP A 102 16.388 -0.019 -13.931 1.00 51.13 H new ATOM 0 HA ASP A 102 15.961 2.315 -15.554 1.00 60.22 H new ATOM 0 HB2 ASP A 102 14.641 3.061 -13.786 1.00 52.13 H new ATOM 0 HB3 ASP A 102 14.487 1.320 -13.656 1.00 52.13 H new ATOM 1699 N GLY A 103 18.390 2.113 -13.373 1.00 42.03 N ATOM 1700 CA GLY A 103 19.585 2.758 -12.856 1.00 51.40 C ATOM 1701 C GLY A 103 19.689 2.585 -11.339 1.00 54.34 C ATOM 1702 O GLY A 103 20.622 1.954 -10.845 1.00 74.14 O ATOM 0 H GLY A 103 18.295 1.128 -13.124 1.00 42.03 H new ATOM 0 HA2 GLY A 103 20.468 2.334 -13.335 1.00 51.40 H new ATOM 0 HA3 GLY A 103 19.566 3.819 -13.104 1.00 51.40 H new ATOM 1706 N PHE A 104 18.718 3.157 -10.643 1.00 15.32 N ATOM 1707 CA PHE A 104 18.688 3.074 -9.192 1.00 52.25 C ATOM 1708 C PHE A 104 18.905 1.635 -8.721 1.00 70.21 C ATOM 1709 O PHE A 104 19.029 0.723 -9.537 1.00 72.30 O ATOM 1710 CB PHE A 104 17.301 3.541 -8.746 1.00 73.41 C ATOM 1711 CG PHE A 104 17.252 5.001 -8.292 1.00 33.25 C ATOM 1712 CD1 PHE A 104 17.671 5.339 -7.043 1.00 24.42 C ATOM 1713 CD2 PHE A 104 16.788 5.961 -9.136 1.00 63.31 C ATOM 1714 CE1 PHE A 104 17.626 6.694 -6.621 1.00 31.31 C ATOM 1715 CE2 PHE A 104 16.743 7.316 -8.714 1.00 73.22 C ATOM 1716 CZ PHE A 104 17.162 7.654 -7.465 1.00 65.34 C ATOM 0 H PHE A 104 17.946 3.680 -11.056 1.00 15.32 H new ATOM 0 HA PHE A 104 19.481 3.690 -8.767 1.00 52.25 H new ATOM 0 HB2 PHE A 104 16.600 3.404 -9.570 1.00 73.41 H new ATOM 0 HB3 PHE A 104 16.960 2.905 -7.929 1.00 73.41 H new ATOM 0 HD1 PHE A 104 18.038 4.577 -6.372 1.00 24.42 H new ATOM 0 HD2 PHE A 104 16.454 5.693 -10.127 1.00 63.31 H new ATOM 0 HE1 PHE A 104 17.960 6.962 -5.630 1.00 31.31 H new ATOM 0 HE2 PHE A 104 16.376 8.078 -9.385 1.00 73.22 H new ATOM 0 HZ PHE A 104 17.126 8.684 -7.144 1.00 65.34 H new ATOM 1726 N LEU A 105 18.945 1.476 -7.406 1.00 55.14 N ATOM 1727 CA LEU A 105 19.145 0.163 -6.817 1.00 14.33 C ATOM 1728 C LEU A 105 17.892 -0.235 -6.033 1.00 64.32 C ATOM 1729 O LEU A 105 17.060 0.612 -5.713 1.00 41.02 O ATOM 1730 CB LEU A 105 20.426 0.141 -5.981 1.00 20.11 C ATOM 1731 CG LEU A 105 21.168 -1.196 -5.926 1.00 35.33 C ATOM 1732 CD1 LEU A 105 21.515 -1.689 -7.332 1.00 3.22 C ATOM 1733 CD2 LEU A 105 22.404 -1.101 -5.030 1.00 10.04 C ATOM 0 H LEU A 105 18.842 2.235 -6.732 1.00 55.14 H new ATOM 0 HA LEU A 105 19.287 -0.587 -7.595 1.00 14.33 H new ATOM 0 HB2 LEU A 105 21.107 0.896 -6.375 1.00 20.11 H new ATOM 0 HB3 LEU A 105 20.177 0.438 -4.962 1.00 20.11 H new ATOM 0 HG LEU A 105 20.504 -1.937 -5.480 1.00 35.33 H new ATOM 0 HD11 LEU A 105 22.042 -2.641 -7.264 1.00 3.22 H new ATOM 0 HD12 LEU A 105 20.599 -1.822 -7.908 1.00 3.22 H new ATOM 0 HD13 LEU A 105 22.152 -0.956 -7.828 1.00 3.22 H new ATOM 0 HD21 LEU A 105 22.913 -2.065 -5.009 1.00 10.04 H new ATOM 0 HD22 LEU A 105 23.081 -0.342 -5.423 1.00 10.04 H new ATOM 0 HD23 LEU A 105 22.101 -0.828 -4.019 1.00 10.04 H new ATOM 1745 N TYR A 106 17.798 -1.525 -5.747 1.00 21.43 N ATOM 1746 CA TYR A 106 16.661 -2.047 -5.007 1.00 4.33 C ATOM 1747 C TYR A 106 17.122 -2.873 -3.804 1.00 62.13 C ATOM 1748 O TYR A 106 17.739 -3.924 -3.969 1.00 24.32 O ATOM 1749 CB TYR A 106 15.908 -2.958 -5.978 1.00 11.42 C ATOM 1750 CG TYR A 106 16.815 -3.725 -6.942 1.00 52.32 C ATOM 1751 CD1 TYR A 106 17.511 -3.046 -7.922 1.00 24.23 C ATOM 1752 CD2 TYR A 106 16.936 -5.095 -6.833 1.00 23.03 C ATOM 1753 CE1 TYR A 106 18.365 -3.768 -8.829 1.00 71.24 C ATOM 1754 CE2 TYR A 106 17.790 -5.817 -7.740 1.00 52.04 C ATOM 1755 CZ TYR A 106 18.462 -5.118 -8.694 1.00 1.11 C ATOM 1756 OH TYR A 106 19.268 -5.800 -9.551 1.00 42.21 O ATOM 0 H TYR A 106 18.490 -2.225 -6.014 1.00 21.43 H new ATOM 0 HA TYR A 106 16.041 -1.233 -4.632 1.00 4.33 H new ATOM 0 HB2 TYR A 106 15.317 -3.673 -5.405 1.00 11.42 H new ATOM 0 HB3 TYR A 106 15.207 -2.356 -6.556 1.00 11.42 H new ATOM 0 HD1 TYR A 106 17.415 -1.974 -8.008 1.00 24.23 H new ATOM 0 HD2 TYR A 106 16.390 -5.626 -6.067 1.00 23.03 H new ATOM 0 HE1 TYR A 106 18.916 -3.249 -9.599 1.00 71.24 H new ATOM 0 HE2 TYR A 106 17.895 -6.889 -7.665 1.00 52.04 H new ATOM 0 HH TYR A 106 20.053 -5.254 -9.766 1.00 42.21 H new ATOM 1766 N VAL A 107 16.805 -2.367 -2.622 1.00 14.51 N ATOM 1767 CA VAL A 107 17.178 -3.045 -1.392 1.00 43.34 C ATOM 1768 C VAL A 107 16.020 -2.961 -0.397 1.00 34.33 C ATOM 1769 O VAL A 107 15.156 -2.094 -0.515 1.00 51.42 O ATOM 1770 CB VAL A 107 18.480 -2.456 -0.845 1.00 64.31 C ATOM 1771 CG1 VAL A 107 18.582 -0.963 -1.160 1.00 50.42 C ATOM 1772 CG2 VAL A 107 18.607 -2.710 0.658 1.00 1.44 C ATOM 0 H VAL A 107 16.293 -1.495 -2.489 1.00 14.51 H new ATOM 0 HA VAL A 107 17.368 -4.102 -1.581 1.00 43.34 H new ATOM 0 HB VAL A 107 19.310 -2.959 -1.341 1.00 64.31 H new ATOM 0 HG11 VAL A 107 19.517 -0.570 -0.760 1.00 50.42 H new ATOM 0 HG12 VAL A 107 18.559 -0.817 -2.240 1.00 50.42 H new ATOM 0 HG13 VAL A 107 17.743 -0.437 -0.705 1.00 50.42 H new ATOM 0 HG21 VAL A 107 19.541 -2.281 1.022 1.00 1.44 H new ATOM 0 HG22 VAL A 107 17.768 -2.246 1.177 1.00 1.44 H new ATOM 0 HG23 VAL A 107 18.602 -3.783 0.847 1.00 1.44 H new ATOM 1782 N THR A 108 16.039 -3.875 0.562 1.00 34.23 N ATOM 1783 CA THR A 108 15.000 -3.916 1.578 1.00 3.00 C ATOM 1784 C THR A 108 15.568 -4.437 2.900 1.00 74.32 C ATOM 1785 O THR A 108 16.314 -5.415 2.917 1.00 41.33 O ATOM 1786 CB THR A 108 13.844 -4.760 1.038 1.00 12.32 C ATOM 1787 OG1 THR A 108 13.578 -4.203 -0.246 1.00 61.23 O ATOM 1788 CG2 THR A 108 12.545 -4.539 1.816 1.00 51.40 C ATOM 0 H THR A 108 16.757 -4.593 0.657 1.00 34.23 H new ATOM 0 HA THR A 108 14.619 -2.918 1.795 1.00 3.00 H new ATOM 0 HB THR A 108 14.116 -5.815 1.077 1.00 12.32 H new ATOM 0 HG1 THR A 108 12.841 -4.692 -0.669 1.00 61.23 H new ATOM 0 HG21 THR A 108 11.757 -5.161 1.392 1.00 51.40 H new ATOM 0 HG22 THR A 108 12.697 -4.808 2.861 1.00 51.40 H new ATOM 0 HG23 THR A 108 12.255 -3.490 1.749 1.00 51.40 H new ATOM 1796 N TYR A 109 15.192 -3.762 3.976 1.00 55.44 N ATOM 1797 CA TYR A 109 15.653 -4.144 5.299 1.00 24.31 C ATOM 1798 C TYR A 109 14.474 -4.383 6.244 1.00 52.21 C ATOM 1799 O TYR A 109 13.335 -4.053 5.916 1.00 31.31 O ATOM 1800 CB TYR A 109 16.475 -2.962 5.817 1.00 22.20 C ATOM 1801 CG TYR A 109 15.755 -1.615 5.723 1.00 25.44 C ATOM 1802 CD1 TYR A 109 14.619 -1.387 6.472 1.00 1.34 C ATOM 1803 CD2 TYR A 109 16.243 -0.629 4.890 1.00 74.01 C ATOM 1804 CE1 TYR A 109 13.942 -0.119 6.384 1.00 34.12 C ATOM 1805 CE2 TYR A 109 15.565 0.639 4.802 1.00 62.42 C ATOM 1806 CZ TYR A 109 14.448 0.831 5.553 1.00 21.03 C ATOM 1807 OH TYR A 109 13.808 2.028 5.470 1.00 3.20 O ATOM 0 H TYR A 109 14.573 -2.952 3.958 1.00 55.44 H new ATOM 0 HA TYR A 109 16.231 -5.067 5.252 1.00 24.31 H new ATOM 0 HB2 TYR A 109 16.743 -3.147 6.857 1.00 22.20 H new ATOM 0 HB3 TYR A 109 17.406 -2.905 5.253 1.00 22.20 H new ATOM 0 HD1 TYR A 109 14.238 -2.159 7.124 1.00 1.34 H new ATOM 0 HD2 TYR A 109 17.133 -0.808 4.304 1.00 74.01 H new ATOM 0 HE1 TYR A 109 13.052 0.073 6.965 1.00 34.12 H new ATOM 0 HE2 TYR A 109 15.936 1.420 4.154 1.00 62.42 H new ATOM 0 HH TYR A 109 13.370 2.225 6.324 1.00 3.20 H new ATOM 1817 N SER A 110 14.787 -4.954 7.398 1.00 40.24 N ATOM 1818 CA SER A 110 13.767 -5.240 8.392 1.00 21.41 C ATOM 1819 C SER A 110 14.403 -5.343 9.780 1.00 45.42 C ATOM 1820 O SER A 110 15.610 -5.550 9.900 1.00 70.13 O ATOM 1821 CB SER A 110 13.017 -6.531 8.056 1.00 41.32 C ATOM 1822 OG SER A 110 13.862 -7.676 8.135 1.00 11.44 O ATOM 0 H SER A 110 15.733 -5.226 7.667 1.00 40.24 H new ATOM 0 HA SER A 110 13.047 -4.421 8.388 1.00 21.41 H new ATOM 0 HB2 SER A 110 12.178 -6.652 8.741 1.00 41.32 H new ATOM 0 HB3 SER A 110 12.600 -6.457 7.052 1.00 41.32 H new ATOM 0 HG SER A 110 14.438 -7.604 8.925 1.00 11.44 H new ATOM 1828 N GLY A 111 13.564 -5.192 10.793 1.00 35.23 N ATOM 1829 CA GLY A 111 14.029 -5.265 12.168 1.00 72.00 C ATOM 1830 C GLY A 111 14.497 -6.680 12.514 1.00 1.12 C ATOM 1831 O GLY A 111 15.063 -6.906 13.583 1.00 71.34 O ATOM 0 H GLY A 111 12.564 -5.019 10.690 1.00 35.23 H new ATOM 0 HA2 GLY A 111 14.848 -4.561 12.317 1.00 72.00 H new ATOM 0 HA3 GLY A 111 13.227 -4.968 12.843 1.00 72.00 H new ATOM 1835 N GLU A 112 14.244 -7.595 11.590 1.00 32.34 N ATOM 1836 CA GLU A 112 14.632 -8.982 11.784 1.00 4.15 C ATOM 1837 C GLU A 112 15.671 -9.393 10.739 1.00 71.40 C ATOM 1838 O GLU A 112 15.751 -8.793 9.669 1.00 43.53 O ATOM 1839 CB GLU A 112 13.413 -9.905 11.739 1.00 51.44 C ATOM 1840 CG GLU A 112 12.801 -10.075 13.131 1.00 42.53 C ATOM 1841 CD GLU A 112 11.817 -8.944 13.439 1.00 60.32 C ATOM 1842 OE1 GLU A 112 11.454 -8.740 14.607 1.00 54.24 O ATOM 1843 OE2 GLU A 112 11.429 -8.265 12.413 1.00 13.23 O ATOM 0 H GLU A 112 13.775 -7.403 10.705 1.00 32.34 H new ATOM 0 HA GLU A 112 15.081 -9.078 12.772 1.00 4.15 H new ATOM 0 HB2 GLU A 112 12.667 -9.495 11.058 1.00 51.44 H new ATOM 0 HB3 GLU A 112 13.704 -10.879 11.345 1.00 51.44 H new ATOM 0 HG2 GLU A 112 12.288 -11.035 13.192 1.00 42.53 H new ATOM 0 HG3 GLU A 112 13.592 -10.088 13.881 1.00 42.53 H new ATOM 1851 N ASN A 113 16.440 -10.415 11.086 1.00 70.14 N ATOM 1852 CA ASN A 113 17.470 -10.914 10.190 1.00 1.13 C ATOM 1853 C ASN A 113 16.872 -11.989 9.281 1.00 62.22 C ATOM 1854 O ASN A 113 17.475 -13.042 9.079 1.00 21.11 O ATOM 1855 CB ASN A 113 18.622 -11.545 10.974 1.00 25.01 C ATOM 1856 CG ASN A 113 19.771 -11.935 10.042 1.00 70.24 C ATOM 1857 OD1 ASN A 113 20.256 -13.055 10.047 1.00 42.43 O ATOM 1858 ND2 ASN A 113 20.177 -10.952 9.243 1.00 22.30 N ATOM 0 H ASN A 113 16.371 -10.911 11.975 1.00 70.14 H new ATOM 0 HA ASN A 113 17.847 -10.073 9.608 1.00 1.13 H new ATOM 0 HB2 ASN A 113 18.982 -10.843 11.727 1.00 25.01 H new ATOM 0 HB3 ASN A 113 18.265 -12.427 11.505 1.00 25.01 H new ATOM 0 HD21 ASN A 113 20.938 -11.113 8.583 1.00 22.30 H new ATOM 0 HD22 ASN A 113 19.727 -10.038 9.290 1.00 22.30 H new ATOM 1865 N THR A 114 15.694 -11.687 8.756 1.00 12.20 N ATOM 1866 CA THR A 114 15.008 -12.614 7.873 1.00 73.33 C ATOM 1867 C THR A 114 14.730 -11.956 6.520 1.00 13.20 C ATOM 1868 O THR A 114 14.989 -10.767 6.339 1.00 32.03 O ATOM 1869 CB THR A 114 13.743 -13.097 8.585 1.00 74.32 C ATOM 1870 OG1 THR A 114 12.954 -11.919 8.729 1.00 61.21 O ATOM 1871 CG2 THR A 114 14.014 -13.542 10.023 1.00 21.24 C ATOM 0 H THR A 114 15.197 -10.813 8.925 1.00 12.20 H new ATOM 0 HA THR A 114 15.628 -13.484 7.655 1.00 73.33 H new ATOM 0 HB THR A 114 13.305 -13.924 8.026 1.00 74.32 H new ATOM 0 HG1 THR A 114 12.113 -12.142 9.180 1.00 61.21 H new ATOM 0 HG21 THR A 114 13.083 -13.875 10.482 1.00 21.24 H new ATOM 0 HG22 THR A 114 14.732 -14.362 10.021 1.00 21.24 H new ATOM 0 HG23 THR A 114 14.421 -12.706 10.592 1.00 21.24 H new